[ CAS No. 143900-43-0 ] {[proInfo.proName]}

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2D 3D

Structure of 143900-43-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 143900-43-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 143900-43-0 ]

SDS Specification

Alternatived Products of [ 143900-43-0 ]

Product Details of [ 143900-43-0 ]

CAS No. :	143900-43-0	MDL No. :	MFCD04115306
Formula :	C₁₀H₁₉NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UIJXHKXIOCDSEB-MRVPVSSYSA-N
M.W :	201.26	Pubchem ID :	1514398
Synonyms :		Chemical Name :	(R)-tert-Butyl 3-hydroxypiperidine-1-carboxylate

Calculated chemistry of [ 143900-43-0 ] Expand+

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.9
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	57.75
TPSA :	49.77 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.41
Log Po/w (XLOGP3) :	0.98
Log Po/w (WLOGP) :	1.0
Log Po/w (MLOGP) :	0.86
Log Po/w (SILICOS-IT) :	0.56
Consensus Log Po/w :	1.16

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.51
Solubility :	6.26 mg/ml ; 0.0311 mol/l
Class :	Very soluble
Log S (Ali) :	-1.61
Solubility :	4.9 mg/ml ; 0.0244 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.7
Solubility :	39.8 mg/ml ; 0.198 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.67

Safety of [ 143900-43-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 143900-43-0 ]

* 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 [ 143900-43-0 ]

[ 143900-43-0 ] Synthesis Path-Downstream 1~3

1
[ 574745-97-4 ]
[ 143900-43-0 ]
[ 612501-77-6 ]

Yield	Reaction Conditions	Operation in experiment
48%	With triphenylphosphine; diethylazodicarboxylate; In dichloromethane; at 20℃;	The 4-chloro-7-methoxy-6-[(3S)-l-(t-butoxycarbonyl) piperidin-3-yloxy] quinazoline starting material was prepared as follows: Diethyl azodicarboxylate (2. 76ml, 40% solution in toluene) was added to 4-chloro-6- hydroxy-7-methoxyquinazoline (0.89g ; prepared as described in Example 16), triphenylphosphine (1.66g) and (3R)-l-tert-butoxycarbonyl)-3-hydroxypiperidine (CAS Registry No 143900-43-0) (1.28g) in dichloromethane (25ml). The resulting solution was allowed to stir overnight at room temperature. This was purified by flash column chromatography eluting with an increasingly polar mixture of acetone/isohexane/triethylamine (79/20/1 to 64/35/1) to give 4-chloro-7-methoxy-6- [ (3S)-l- (tert-butoxycarbonyl) piperidin-3-yloxy) ] quinazoline as a white solid (0.794g, 48%) ; Mass Spectrum : (M+H) + 394.

Reference： [1]Patent: WO2003/82831,2003,A1 .Location in patent: Page/Page column 145

2
[ 1354961-13-9 ]
[ 143900-43-0 ]
(R)-tert-butyl 3-(4-(tert-butoxycarbonyl)-2-chloro-5-fluorophenoxy)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; In dimethyl sulfoxide; at 70℃; for 1h;Inert atmosphere;	To a solution of (R) -tert-butyl 3-hydroxypiperidine-1-carboxylate (10.05 g, 50.00 mmol) and tert-butyl 5-chloro-2, 4-difluorobenzoate (13.02 g, 52.50 mmol) in anhydrous DMSO (200 mL) was added cesium carbonate (40.62 g, 75.00 mmol) . The reaction mixture was stirred at 70 for 1 hour under an atmosphere of nitrogen and then cooled to ambient temperature and quenched by addition of 50 mL of water. The mixture was extracted with ethyl acetate (3 x 100 mL) the organic layers were combined and washed with brine (150 mL) , dried over anhydrous magnesium sulfate, filtered and concentrated. The crude material (22.50 g, 99) was used directly for the next step without further purification: MS (ES+) m/z 430.2, 431.2 (M+1) .

Reference： [1]Patent: WO2015/78374,2015,A1 .Location in patent: Page/Page column 138

3
[ 940890-90-4 ]
[ 143900-43-0 ]

Reference： [1]Patent: CN103864673,2016,B

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Isomers

Technical Information

? Acyl Group Substitution ? Appel Reaction ? Bouveault-Blanc Reduction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Catalytic Hydrogenation ? Chan-Lam Coupling Reaction ? Chugaev Reaction ? Complex Metal Hydride Reductions ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Ester Cleavage ? Hydride Reductions ? Jones Oxidation ? Lawesson's Reagent ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions of Amines ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Specialized Acylation Reagents-Carbodiimides and Related Reagents ? Specialized Acylation Reagents-Ketenes ? Swern Oxidation

Historical Records

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[ 143900-43-0 ]

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P233	Keep container tightly closed.
P234	Keep only in original container.
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P242	Use only non-sparking tools.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
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P342	If experiencing respiratory symptoms:
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P351	Rinse cautiously with water for several minutes.
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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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.
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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.
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H401	Toxic to aquatic life
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[ CAS No. 143900-43-0 ] {[proInfo.proName]}

Quality Control of [ 143900-43-0 ]

Related Doc. of [ 143900-43-0 ]

Product Details of [ 143900-43-0 ]

Calculated chemistry of [ 143900-43-0 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 143900-43-0 ]

Application In Synthesis of [ 143900-43-0 ]

[ 143900-43-0 ] Synthesis Path-Downstream 1~3

Technical Information

Related Functional Groups of [ 143900-43-0 ]

Alcohols

Amides

Related Parent Nucleus of [ 143900-43-0 ]

Aliphatic Heterocycles

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 143900-43-0 ]

Related Parent Nucleus of
[ 143900-43-0 ]