3-Hydroxybenzyl acetate

Base Information

• Chemical Name: 3-Hydroxybenzyl acetate
• CAS No.: 142784-72-3
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918290090
• UNII: TSQ4QET8K4
• Nikkaji Number: J469.684K
• Mol file: 142784-72-3.mol

Synonyms:(3-hydroxyphenyl)methyl Acetate;3-hydroxybenzyl acetate;142784-72-3;m-Hydroxybenzyl acetate;TSQ4QET8K4;Benzenemethanol, 3-hydroxy-, 1-acetate;Benzenemethanol, 3-hydroxy-, alpha-acetate;3-hydroxy-benzyl acetate;UNII-TSQ4QET8K4;(3-hydroxyphenyl)methylAcetate;SCHEMBL2385123;acetic acid 3-hydroxybenzyl ester;CHEBI:156232

Chemical Property of 3-Hydroxybenzyl acetate

Chemical Property:

• Boiling Point: 295 - 302 °C
• PSA: 46.53000
• Density: 1.181±0.06 g/cm3(Predicted)
• LogP: 1.45530
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

(3-Hydroxyphenyl)methylacetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC(=CC=C1)O

Technology Process of 3-Hydroxybenzyl acetate

There total 12 articles about 3-Hydroxybenzyl acetate 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%

vinyl acetate (108-05-4,9003-20-7) + 3-Hydroxybenzyl alcohol (620-24-6) → 3-hydroxybenzyl acetate (142784-72-3)

Guidance literature:

With Candida cylindracea lipase; In hexane; for 4h;

Reference yield: 100.0%

m-Acetoxybenzyl acetate (57281-56-8) → 3-hydroxybenzyl acetate (142784-72-3)

Guidance literature:

With Candida cylindracea lipase; In hexane; butan-1-ol; at 25 ℃; for 4h;

Reference yield: 96.0%

3-(tert-butyldimethylsilyloxy)benzyl acetate (226070-43-5) → 3-hydroxybenzyl acetate (142784-72-3)

Guidance literature:

With lithium acetate; In water; N,N-dimethyl-formamide; at 70 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/jo802472s

upstream raw materials:

3-Hydroxybenzyl alcohol

vinyl acetate

m-Acetoxybenzyl acetate

ethyl acetate

Refernces

• 1、 Nelson, Hope,Richard, William,Brown, Hailee,Medlin, Abigail,Light, Christina,Heller, Stephen T.. "Practical Chemoselective Acylation: Organocatalytic Chemodivergent Esterification and Amidation of Amino Alcohols with N-Carbonylimidazoles". supporting information. p. 22818 - 22825. Retrieved 2021/09/13.
• 2、 Albadi, Jalal,Alihosseinzadeh, Amir,Mardani, Mehdi. "Efficient approach for the chemoselective acetylation of alcohols catalyzed by a novel metal oxide nanocatalyst CuO-ZnO". . p. 308 - 313. Retrieved 2015/09/28.