[ CAS No. 14774-37-9 ] {[proInfo.proName]}

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2D 3D

Structure of 14774-37-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14774-37-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 14774-37-9 ]

SDS Specification

Alternatived Products of [ 14774-37-9 ]

Product Details of [ 14774-37-9 ]

CAS No. :	14774-37-9	MDL No. :	MFCD00457804
Formula :	C₆H₁₂O₂	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	YSNVSVCWTBLLRW-UHFFFAOYSA-N
M.W :	116.16	Pubchem ID :	2773573
Synonyms :		Chemical Name :	Tetrahydropyran-4-methanol

Calculated chemistry of [ 14774-37-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	31.09
TPSA :	29.46 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.67
Log Po/w (XLOGP3) :	0.14
Log Po/w (WLOGP) :	0.41
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	1.28
Consensus Log Po/w :	0.74

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.58
Solubility :	30.4 mg/ml ; 0.262 mol/l
Class :	Very soluble
Log S (Ali) :	-0.32
Solubility :	56.2 mg/ml ; 0.484 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.55
Solubility :	32.5 mg/ml ; 0.28 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.84

Safety of [ 14774-37-9 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 14774-37-9 ]

* 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 [ 14774-37-9 ]

[ 14774-37-9 ] Synthesis Path-Downstream 1~1

1
[ 36838-71-8 ]
[ 280-64-8 ]
[ 14774-37-9 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; water;	A mixture of <strong>[36838-71-8]4-methylenetetrahydropyran</strong> (Chem. Abstr. 59 , 13970a 1963,) (3.4 g) in tetrahydrofuran (20 ml) is added dropwise under argon at -78 to a stirring solution of 0.5 M 9-borabicyclo [3.3.1]-nonane in tetrahydrofuran (69.3 ml). It is stirred 3 hours at 0, treated with water (10 ml), raised to room temperature and treated dropwise with 3M aqueous sodium hydroxide (12 ml) followed by 30% hydrogen peroxide slowly added to maintain a temperature below 40. After 1 hour, the mixture is extracted with ether, the extract is dried over sodium sulphate, the ether evaporated and the residue distilled to remove material boiling under 100 at atmospheric pressure. The residual oil is chromatographed over silica gel with ethyl acetate-hexane as eluent (1:1, later 2:1) to obtain pure tetrahydropyran-4-ylmethanol.

Reference： [1]Patent: EP475895,1992,A1

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Isomers

Technical Information

? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

Historical Records

Related Functional Groups of
[ 14774-37-9 ]

Alcohols

[ 14774-36-8 ]

(Tetrahydropyran-3-yl)methanol

Similarity: 0.94

[ 4677-18-3 ]

2-(Tetrahydro-2H-pyran-4-yl)ethanol

Similarity: 0.94

[ 98955-27-2 ]

(4-(Methoxymethyl)cyclohexyl)methanol

Similarity: 0.83

[ 15833-61-1 ]

(Tetrahydrofuran-3-yl)methanol

Similarity: 0.79

[ 124391-75-9 ]

(S)-(Tetrahydrofuran-3-yl)methanol

Similarity: 0.79

Related Parent Nucleus of
[ 14774-37-9 ]

Aliphatic Heterocycles

[ 4677-18-3 ]

2-(Tetrahydro-2H-pyran-4-yl)ethanol

Similarity: 0.94

[ 15833-61-1 ]

(Tetrahydrofuran-3-yl)methanol

Similarity: 0.79

[ 124391-75-9 ]

(S)-(Tetrahydrofuran-3-yl)methanol

Similarity: 0.79

[ 7525-64-6 ]

4-Methyltetrahydro-2H-pyran-4-ol

Similarity: 0.76

[ 18934-00-4 ]

3,3'-(Oxybis(methylene))bis(3-ethyloxetane)

Similarity: 0.75

Tetrahydropyrans

[ 14774-36-8 ]

(Tetrahydropyran-3-yl)methanol

Similarity: 0.94

[ 4677-18-3 ]

2-(Tetrahydro-2H-pyran-4-yl)ethanol

Similarity: 0.94

[ 7525-64-6 ]

4-Methyltetrahydro-2H-pyran-4-ol

Similarity: 0.76

[ 65412-03-5 ]

4-(2-Aminoethyl)tetrahydro-2H-pyran

Similarity: 0.73

[ 50675-18-8 ]

Tetrahydropyran-4-carbaldehyde

Similarity: 0.73

Ghs Precautionary Statements

Precautionary Statements-General
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Prevention
Code	Phrase
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P222	Do not allow contact with air.
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P281	Use personal protective equipment as required.
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Response
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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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P342	If experiencing respiratory symptoms:
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P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
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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.
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P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
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P405	Store locked up.
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
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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
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P501	Dispose of contents/container to ...
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Physical hazards
Code	Phrase
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
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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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H301	Toxic if swallowed
H302	Harmful if swallowed
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H310	Fatal in contact with skin
H311	Toxic in contact with skin
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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. 14774-37-9 ] {[proInfo.proName]}

Quality Control of [ 14774-37-9 ]

Related Doc. of [ 14774-37-9 ]

Product Details of [ 14774-37-9 ]

Calculated chemistry of [ 14774-37-9 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 14774-37-9 ]

Application In Synthesis of [ 14774-37-9 ]

[ 14774-37-9 ] Synthesis Path-Downstream 1~1

Technical Information

Related Functional Groups of [ 14774-37-9 ]

Alcohols

Related Parent Nucleus of [ 14774-37-9 ]

Aliphatic Heterocycles

Tetrahydropyrans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 14774-37-9 ]

Related Parent Nucleus of
[ 14774-37-9 ]