Veratryl acetate

Base Information

• Chemical Name: Veratryl acetate
• CAS No.: 53751-40-9
• Molecular Formula: C11H14 O4
• Molecular Weight: 210.23
• Hs Code.: 2915390090
• European Community (EC) Number: 258-743-3
• UNII: V2XJJ5X0KI
• DSSTox Substance ID: DTXSID80202025
• Nikkaji Number: J47.236K
• Wikidata: Q27159271
• Metabolomics Workbench ID: 68073
• Mol file: 53751-40-9.mol

Synonyms:Veratryl acetate;3,4-Dimethoxybenzyl acetate;53751-40-9;(3,4-dimethoxyphenyl)methyl acetate;3,4-dimethoxybenzylacetate;UNII-V2XJJ5X0KI;V2XJJ5X0KI;EINECS 258-743-3;Benzenemethanol, 3,4-dimethoxy-, acetate;bmse010075;3,4-Dimethoxybenzyl acetate #;SCHEMBL6481775;Acetic acid 3,4-dimethoxybenzyl;CHEBI:86588;DTXSID80202025;Q27159271

Chemical Property of Veratryl acetate

Chemical Property:

• Vapor Pressure: 0.00334mmHg at 25°C
• Boiling Point: 282.5°Cat760mmHg
• Flash Point: 120.1°C
• PSA: 44.76000
• Density: 1.105g/cm³
• LogP: 1.76690
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99.3% ^*data from raw suppliers

VERATRYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Veratryl acetate

There total 28 articles about Veratryl 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: 98.0%

acetic acid (64-19-7,77671-22-8) + (3,4-dimethoxyphenyl)methanol (93-03-8) → veratryl acetate (53751-40-9)

Guidance literature:

LaY zeolite; at 116 ℃; for 10h;

DOI:10.1080/00397910008087237

Reference yield: 95.0%

Methyl 2-<(3,4-Dimethoxyphenyl)methoxy>benzoate (73119-94-5) → veratryl acetate (53751-40-9) + methyl salicylate (119-36-8,8024-54-2)

Guidance literature:

With acetic acid; at 90 ℃; for 4h;

DOI:10.1080/00397919408011711

Reference yield: 94.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + ethyl acetate (141-78-6) → veratryl acetate (53751-40-9)

Guidance literature:

With [Zn(BH₄)2(nmi)]; In diethyl ether; at 20 ℃; for 0.6h;

upstream raw materials:

N,N-dimethyl-3,4-dimethoxybenzylamine

acetic anhydride

(3,4-dimethoxyphenyl)methanol

acetyl chloride

Downstream raw materials:

3,4-dimethoxy-benzaldehyde

2-acetylhydroxymethyl-5-methoxy-2,5-cyclohexadien-1,4-dione

3,4-dimethoxyphenol

1,2-dimethoxy-4-methylbenzene

Refernces

• 1、 Singha, Raju,Ray, Jayanta K.. "Selective acetylation of primary alcohols by ethyl acetate". . p. 5395 - 5398. Retrieved 2016/11/11.
• 2、 Mendoza, Oscar,Rossey, Guy,Ghosez, Léon. "Trialkylsilyl triflimides as easily tunable organocatalysts for allylation and benzylation of silyl carbon nucleophiles with non-genotoxic reagents". supporting information; experimental part. p. 2571 - 2575. Retrieved 2010/06/21.