2-Methoxybenzyl alcohol

Base Information

• Chemical Name: 2-Methoxybenzyl alcohol
• CAS No.: 612-16-8
• Deprecated CAS: 185533-04-4,99501-07-2,99501-07-2
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 29094990
• European Community (EC) Number: 210-296-5
• NSC Number: 66558
• UNII: 457NQ8NGCG
• DSSTox Substance ID: DTXSID4060606
• Nikkaji Number: J11.545B
• Wikidata: Q15726099
• Mol file: 612-16-8.mol

Synonyms:2-Methoxybenzyl alcohol;612-16-8;(2-Methoxyphenyl)methanol;Benzenemethanol, 2-methoxy-;o-Anisyl alcohol;o-Methoxybenzyl alcohol;2-Methoxybenzylalcohol;2-Methoxybenzenemethanol;MFCD00004611;457NQ8NGCG;(2-Methoxy-phenyl)-methanol;EINECS 210-296-5;EINECS 215-561-9;NSC 66558;NSC-66558;AI3-05521;O-ANISALCOHOL;2-methoxy-benzylalcohol;2-methoxy-benzyl alcohol;2-Methoxy benzyl alcohol;2 - methoxybenzyl alcohol;UNII-457NQ8NGCG;UNII-NT090XT6TE;(2-methoxyphenyl)-methanol;NT090XT6TE;SCHEMBL17820;(2-Methoxyphenyl)methanol #;[2-(methyloxy)phenyl]methanol;2-Methoxybenzyl alcohol, 99%;DTXSID4060606;1-hydroxymethyl-2-methoxybenzene;1-hydroxymethyl-2-methoxy-benzene;BENZYL ALCOHOL, O-METHOXY-;NSC66558;STR01347;AKOS000120315;CS-W016501;PS-4450;SY019123;A8497;FT-0612827;M1017;EN300-20605;tert-Butoxycarbonylamino-(4-cyano-phenyl)-aceticacid;W-105173;Q15726099;F0001-1610;Z104479146

Chemical Property of 2-Methoxybenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear orange-brown liquid.
• Vapor Pressure: 0.572Pa at 25℃
• Melting Point: 85-86 °C
• Refractive Index: n20/D 1.547(lit.)
• Boiling Point: 249 °C at 760 mmHg
• PKA: 14.43±0.10(Predicted)
• Flash Point: 99.7 °C
• PSA: 29.46000
• Density: 1.085 g/cm³
• LogP: 1.18750
• Storage Temp.: Store below +30°C.
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in ethanol.
• XLogP3: 1.1
• 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:

99.9% ^*data from raw suppliers

2-Methoxybenzyl alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: COC1=CC=CC=C1CO

Technology Process of 2-Methoxybenzyl alcohol

There total 77 articles about 2-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: 100.0%

2-(2-methoxybenzyloxy)tetrahydro-2H-pyran (18483-89-1) → (2-methoxyphenyl)methanol (612-16-8)

Guidance literature:

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

DOI:10.1081/SCC-120004252

Reference yield: 99.0%

2-methoxybenzyl trimethylsilyl ether (195064-77-8) → (2-methoxyphenyl)methanol (612-16-8)

Guidance literature:

With Oxone; In methanol; for 0.25h; Heating;

DOI:10.1246/bcsj.73.2775

Reference yield: 93.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-Methoxyphenylboronic acid (5720-06-9) → (2-methoxyphenyl)methanol (612-16-8)

Guidance literature:

With C₆₂H₇₄Cl₂N₄Pd₂S₂; caesium carbonate; In tetrahydrofuran; water; at 50 ℃; for 2h; Inert atmosphere; Sealed tube;

DOI:10.1002/cctc.202001464

upstream raw materials:

2-methoxybenzoic acid methyl ester

ethyl 2-methoxybenzoate

S-benzyl 2-methoxybenzenecarbothioate

ortho-anisaldehyde

Downstream raw materials:

o-Methoxybenzyl bromide

o-Methoxybenzyl chloride

ortho-anisaldehyde

(2-methoxy-benzyl)-(tri-O-acetyl-2-acetylamino-2-deoxy-β-D-glucopyranoside)

Refernces

• 1、 Chakraborty, Soumi,Das, Arpan,Mandal, Swadhin K.. "Redox-active ligand based Mn(i)-catalyst for hydrosilylative ester reduction". supporting information. p. 12671 - 12674. Retrieved 2021/12/04.
• 2、 Coufourier, Sébastien,Ndiaye, Daouda,Gaillard, Quentin Gaignard,Bettoni, Léo,Joly, Nicolas,Mbaye, Mbaye Diagne,Poater, Albert,Gaillard, Sylvain,Renaud, Jean-Luc. "Iron-catalyzed chemoselective hydride transfer reactions". supporting information. . Retrieved 2021/06/07.