3-Methoxybenzyl alcohol

Base Information

• Chemical Name: 3-Methoxybenzyl alcohol
• CAS No.: 6971-51-3
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 29094990
• European Community (EC) Number: 230-200-5
• NSC Number: 66559
• UNII: I1XC3698N5
• DSSTox Substance ID: DTXSID20220001
• Nikkaji Number: J8.869B
• Wikidata: Q15726098
• Metabolomics Workbench ID: 67949
• ChEMBL ID: CHEMBL4128915
• Mol file: 6971-51-3.mol

Synonyms:3-Methoxybenzyl alcohol;6971-51-3;(3-Methoxyphenyl)methanol;m-Methoxybenzyl alcohol;m-Anisyl alcohol;Benzenemethanol, 3-methoxy-;3-Methoxybenzylalcohol;3-Anise alcohol;3-Anisyl alcohol;MFCD00004637;UNII-I1XC3698N5;I1XC3698N5;EINECS 230-200-5;NSC-66559;M-ANISALCOHOL;(3-methoxy-phenyl)-methanol;SCHEMBL96382;(3-Methoxyphenyl)methanol #;RICINOLEICACIDETHYLESTER;3-Methoxybenzyl alcohol, 98%;CHEBI:1580;CHEMBL4128915;DTXSID20220001;BENZYL ALCOHOL, M-METHOXY-;NSC66559;NSC 66559;(3-(METHYLOXY)PHENYL)METHANOL;AKOS000120323;AM87152;CS-W004061;AC-10897;AS-12794;SY017865;1-(HYDROXYMETHYL)-3-METHOXYBENZENE;A9220;FT-0615993;M1101;EN300-18731;C03352;W-104600;Q15726098;Z90121251

Chemical Property of 3-Methoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.0136mmHg at 25°C
• Melting Point: 29 - 30oC
• Refractive Index: n20/D 1.540(lit.)
• Boiling Point: 247.4 °C at 760 mmHg
• PKA: 14.43±0.10(Predicted)
• Flash Point: 109.9 °C
• PSA: 29.46000
• Density: 1.085 g/cm³
• LogP: 1.18750
• Storage Temp.: Store below +30°C.
• Solubility.: Acetonitrile (Sparingly), Chloroform (Sparingly), DMSO (Slightly)
• Water Solubility.: immiscible
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxybenzenemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 23-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: COC1=CC=CC(=C1)CO
• Uses: 3-Methoxybenzyl alcohol is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Technology Process of 3-Methoxybenzyl alcohol

There total 69 articles about 3-Methoxybenzyl alcohol 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: 98.0%

methyl 3-methoxybenzoate (5368-81-0) → 3-methoxybenzyl alcohol (6971-51-3)

Guidance literature:

methyl 3-methoxybenzoate; With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 6h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; hexane; water; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406176

Reference yield: 97.0%

2-(3-methoxybenzyloxy)tetrahydro-2H-pyran (18483-97-1) → 3-methoxybenzyl alcohol (6971-51-3)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In methanol; for 0.05h;

DOI:10.1081/SCC-120004252

Reference yield: 95.0%

ethyl 3-methoxybenzoate (10259-22-0) → 3-methoxybenzyl alcohol (6971-51-3)

Guidance literature:

With lithium borohydride; In diethyl ether; toluene; at 100 ℃; for 0.5h;

DOI:10.1021/jo00145a018

upstream raw materials:

meta-hydroxybenzaldehyde

dimethyl sulfate

3-Methoxybenzoic acid

3-methoxy-benzaldehyde

Downstream raw materials:

3-methoxy-benzaldehyde

m-methoxybenzyl chloride

1-bromomethyl-3-methoxybenzene

1-methoxy-3-methyl-benzene

Refernces

• 1、 Wang, Jin,Ju, Ming-Yue,Wang, Xinghua,Ma, Yan-Na,Wei, Donghui,Chen, Xuenian. "Hydroboration Reaction and Mechanism of Carboxylic Acids using NaNH2(BH3)2, a Hydroboration Reagent with Reducing Capability between NaBH4and LiAlH4". . p. 5305 - 5316. Retrieved 2021/04/12.
• 2、 Fang, Fei,Chang, Jiarui,Zhang, Jie,Chen, Xuenian. "Efficient Solvent-Free Hydrosilylation of Aldehydes and Ketones Catalyzed by Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH". . p. 3509 - 3515. Retrieved 2021/03/16.