[ CAS No. 146093-46-1 ] {[proInfo.proName]}

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Quality Control of [ 146093-46-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 146093-46-1 ]

SDS Specification

Alternatived Products of [ 146093-46-1 ]

Product Details of [ 146093-46-1 ]

CAS No. :	146093-46-1	MDL No. :	MFCD04038459
Formula :	C₁₂H₂₄N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LBQDLHPFISVBRU-UHFFFAOYSA-N
M.W :	228.33	Pubchem ID :	1514258
Synonyms :		Chemical Name :	4-(Aminoethyl)-1-N-Boc-piperidine

Safety of [ 146093-46-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 146093-46-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 146093-46-1 ]

[ 146093-46-1 ] Synthesis Path-Downstream 1~3

1
[ 387350-92-7 ]
[ 32315-10-9 ]
[ 146093-46-1 ]
[ 1570178-47-0 ]

Yield	Reaction Conditions	Operation in experiment
89%		To a solution of compound 1 (112 mg, 0.568 mmol) and triphosgene (203 mg, 0.684 mmol) in AcOEt (6 mL) was slowly added triethylamine (0.120 mL, 0.861 mmol) at 0 C. After stirring at 0 C for 1 h, saturated aqueous NaHCO3 solution was added to the mixture. The mixture was extracted with AcOEt. The extract was washed with brine, dried over MgSO4, and concentrated under reduced pressure. The residue was dissolved in THF (6 mL), and then tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate (23, 130 mg, 0.567 mmol) and triethylamine (0.120 mL, 0.861 mmol) were added at 0 C. The mixture was allowed to warm to room temperature followed by stirring for 20 h. The reaction mixture was quenched with water and extracted with AcOEt. The organic layer was washed with brine, dried over MgSO4, and concentrated under reduced pressure. Purification by silica gel column chromatography gave the title compound as a white solid (228 mg, 89%). MS (ESI/APCI) m/z 352 [M-Boc+2H]+. 1H NMR (300 MHz, CDCl3) δ 1.08-1.22 (2H, m), 1.45 (9H, s), 1.50-1.57 (3H, m), 1.70 (2H, d, J = 12.8 Hz), 2.60-2.76 (2H, m), 3.02 (3H, s), 3.26 (2H, t, J = 8.7 Hz), 3.32-3.45 (2H, m), 3.91-4.19 (4H, m), 4.64 (1H, t, J = 5.5 Hz), 7.67 (1H, s), 7.74 (1H, dd, J = 8.7, 1.9 Hz), 8.10 (1H, d, J = 8.7 Hz). 13C NMR (100.6 MHz, CDCl3) δ 27.3, 28.5, 32.0, 33.8, 36.9, 38.2, 43.8, 44.9, 47.5, 79.4, 114.8, 123.6, 128.3, 131.1, 132.9, 148.8, 154.6, 154.9. Mp 162-163 C. Anal. Calcd for C22H33N3O5S·0.1AcOEt: C, 58.44; H, 7.40; N, 9.13. Found: C, 58.57; H, 7.48; N 8.87.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 1649 - 1666

2
[ 440627-14-5 ]
[ 146093-46-1 ]
tert-butyl 4-(2-(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine8-carboxamido)ethyl)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
51%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 16h;Inert atmosphere;	[000365] Synthesis of tert-butyl 4-(2-(11-oxo-10, 11-dihydrodibenzo [b,J1 [1, 4j thiazepine8-carboxamido) ethyl) piperidine-1-carboxylate (449): To a stirred solution of compound 6 (40 mg, 0.14 mmol) in DMF (3 mL) under argon atmosphere were added EDCI.HC1 (42 mg, 0.22 mmol), HOBt (30 mg, 0.22 mmol), compound 448 (40 mg, 0.17 mmol), diisopropyl ethyl amine (0.05 mL, 0.29 mmol) at 0 C; warmed to RT and stirred for 16 h. The reaction was monitored by TLC; after completion of the reaction, the volatiles were removed in vacuo to obtain the crude. The crude was triturated with EtOAc: H20 (1: 5, 12 mL), filtered and the precipitate was dried in vacuo to afford compound 449 (36 mg, 51%) as white solid. TLC: 7% MeOH/ CH2C12 (R 0.7); 1H-NMR (DMSO-d6, 400 MHz): oe 10.76 (s, 1H), 8.47 (br s, 1H), 7.69-7.63 (m, 3H), 7.57-7.53 (m, 2H), 7.47 (t, J 8.8 Hz, 2H), 3.89 (d, J= 10.8 Hz, 2H), 3.26-3.25 (m, 2H), 2.67 (s, 3H), 1.64 (d,J 10.8 Hz, 2H), 1.42-1.41 (m, 2H), 1.37 (s, 9H), 0.97-0.95 (m, 2H).

Reference： [1]Patent: WO2015/138895,2015,A1 .Location in patent: Paragraph 000365

3
[ 440627-14-5 ]
[ 146093-46-1 ]
11-oxo-N-(2-(piperidin-4-yl) ethyl)-10,11-dihydrodibenzo[b,f][1,4] thiazepine-8-carboxamide [ No CAS ]

Reference： [1]Patent: WO2015/138895,2015,A1

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Isomers

Technical Information

? Acyl Group Substitution ? Alkyl Halide Occurrence ? Bouveault-Blanc Reduction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Catalytic Hydrogenation ? Chan-Lam Coupling Reaction ? Complex Metal Hydride Reductions ? Ester Cleavage ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Hydride Reductions ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? Mannich Reaction ? Petasis Reaction ? Preparation of Amines ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Dihalides ? Reactions with Organometallic Reagents ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Specialized Acylation Reagents-Ketenes ? Specialized Acylation Reagents-Vilsmeier Reagent ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Ugi Reaction

Historical Records

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[ 146093-46-1 ]

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Related Parent Nucleus of
[ 146093-46-1 ]

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tert-Butyl 4-(2-(methylamino)ethyl)piperidine-1-carboxylate

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P103	Read label before use
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Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
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P265	Wash skin thouroughly after handling.
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Code	Phrase
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P304	IF INHALED:
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P306	IF ON CLOTHING:
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P311	Call a POISON CENTER or doctor/physician.
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P314	Get medical advice/attention if you feel unwell.
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P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P373	DO NOT fight fire when fire reaches explosives.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
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H290	May be corrosive to metals
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H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
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H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H351	Suspected of causing cancer
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H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 146093-46-1 ] {[proInfo.proName]}

Quality Control of [ 146093-46-1 ]

Related Doc. of [ 146093-46-1 ]

Product Details of [ 146093-46-1 ]

Safety of [ 146093-46-1 ]

Application In Synthesis of [ 146093-46-1 ]

[ 146093-46-1 ] Synthesis Path-Downstream 1~3

Technical Information

Related Functional Groups of [ 146093-46-1 ]

Amides

Amines

Related Parent Nucleus of [ 146093-46-1 ]

Aliphatic Heterocycles

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 146093-46-1 ]

Related Parent Nucleus of
[ 146093-46-1 ]