(Tetrahydropyran-3-yl)methanol

Base Information

• Chemical Name: (Tetrahydropyran-3-yl)methanol
• CAS No.: 14774-36-8
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 2932999099
• European Community (EC) Number: 238-841-2
• DSSTox Substance ID: DTXSID80933201
• Nikkaji Number: J227.184B
• Mol file: 14774-36-8.mol

Synonyms:14774-36-8;(Tetrahydropyran-3-yl)methanol;oxan-3-ylmethanol;(tetrahydro-2H-pyran-3-yl)methanol;(Tetrahydro-pyran-3-yl)-methanol;tetrahydro-2H-pyran-3-ylmethanol;Tetrahydro-2H-pyran-3-methanol;2H-PYRAN-3-METHANOL, TETRAHYDRO-;(oxan-3-yl)methanol;EINECS 238-841-2;3-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN;2H-Pyran-3-methanol,tetrahydro-;3-hydroxymethyltetrahydropyran;(2R,3S)-diaminosuccinicacid;Tetrahydropyran-3-yl-methanol;SCHEMBL1192557;(tetrahydropyran-3-yl)-methanol;DTXSID80933201;CS-D0478;MFCD08235011;STK499946;AKOS000321350;AKOS016343952;AB87452;AB87599;PB12514;AS-34522;AM20080365;BB 0251144;FT-0645828;(tetrahydro-pyran-3-yl)-methanol, AldrichCPR;EN300-44031;A846663;J-502566;Z445213352

Chemical Property of (Tetrahydropyran-3-yl)methanol

Chemical Property:

• Vapor Pressure: 0.0345mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 214.3 °C at 760 mmHg
• PKA: 14.81±0.10(Predicted)
• Flash Point: 94.5 °C
• PSA: 29.46000
• Density: 1 g/cm³
• LogP: 0.40530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

97% ^*data from raw suppliers

Oxan-3-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(COC1)CO

Technology Process of (Tetrahydropyran-3-yl)methanol

There total 4 articles about (Tetrahydropyran-3-yl)methanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(S)-tetrahydropyran-3-yl-carboxaldehyde (14774-35-7) → rac-(tetrahydro-2H-pyran-3-yl)methanol (14774-36-8)

Guidance literature:

With (1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen; In dichloromethane; under 1500.15 Torr;

DOI:10.1002/chem.201104073

Reference yield: 91.0%

tetrahydro-pyran-3-carbaldehyde (77342-93-9) → rac-(tetrahydro-2H-pyran-3-yl)methanol (14774-36-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; dichloromethane; at -10 - 20 ℃; for 4h;

Reference yield:

3,4-dihydro-2H-pyran (110-87-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → TETRAHYDROPYRANE (142-68-7) + Tetrahydropyran-2-methanol (100-72-1) + rac-(tetrahydro-2H-pyran-3-yl)methanol (14774-36-8) + tetrahydro-pyran-2-carbaldehyde (19611-45-1) + tetrahydro-pyran-3-carbaldehyde (77342-93-9) + bis(2-tetrahydropyranyl)methanol + 2-tetrahydropyranyl tetrahydropyran-2-carboxylate

Guidance literature:

With dicobalt octacarbonyl; hydrogen; In tetrahydrofuran; at 150 ℃; for 10h; under 41346.8 Torr; Time; Concentration; Pressure; Autoclave;

DOI:10.1007/s11243-013-9750-4

upstream raw materials:

5,6-dihydro-2H-pyran-3-carbaldehyde

tetrahydro-pyran-3-carbaldehyde

(S)-tetrahydropyran-3-yl-carboxaldehyde

3,4-dihydro-2H-pyran

Downstream raw materials:

(tetrahydro-2H-pyran-3-yl)methyl 4-methylbenzenesulfonate

racemic tetrahydropyran-3-carboxylic acid

(±)-3-(bromomethyl)tetrahydro-2H-pyran