3-(Benzyloxy)-4,5-dimethoxybenzoic acid

Base Information

• Chemical Name: 3-(Benzyloxy)-4,5-dimethoxybenzoic acid
• CAS No.: 5651-55-8
• Molecular Formula: C16H16O5
• Molecular Weight: 288.3
• NSC Number: 19891
• DSSTox Substance ID: DTXSID60281050
• Nikkaji Number: J2.501.462F
• Wikidata: Q82014783
• Mol file: 5651-55-8.mol

Synonyms:3-(benzyloxy)-4,5-dimethoxybenzoic acid;5651-55-8;NSC19891;SCHEMBL7168025;DTXSID60281050;NSC-19891;AKOS000277305

Chemical Property of 3-(Benzyloxy)-4,5-dimethoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.51E-08mmHg at 25°C
• Boiling Point: 440.8°Cat760mmHg
• Flash Point: 161.5°C
• PSA: 64.99000
• Density: 1.228g/cm³
• LogP: 2.98100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 288.09977361
• Heavy Atom Count: 21
• Complexity: 327

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)OC

Technology Process of 3-(Benzyloxy)-4,5-dimethoxybenzoic acid

There total 3 articles about 3-(Benzyloxy)-4,5-dimethoxybenzoic acid 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: 26.0%

2-(3-Benzyloxy-4,5-dimethoxy-benzoyl)-4-oxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid ethyl ester (180900-29-2) → 3-(benzyloxy)-4,5-dimethoxybenzoic acid (5651-55-8) + 4-(3,4,5-trimethoxyphenyl)-4-oxobutyric acid (5101-00-8) + 1-(3-benzyloxy-4,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butan-1,4-dione (180900-31-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 7h; Ambient temperature;

DOI:10.1016/0223-5234(96)89161-6

Reference yield:

methyl 3-benzyloxy-4,5-dimethoxybenzoate (26409-24-5) → 3-(benzyloxy)-4,5-dimethoxybenzoic acid (5651-55-8)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 8h;

DOI:10.1002/ardp.200700077

Reference yield:

→ 3-(benzyloxy)-4,5-dimethoxybenzoic acid (5651-55-8)

Guidance literature:

3-Hydroxy-4,5-dimethoxy-benzoesaeure, C6H5-CH2Cl, K2CO3, DMF, 160grad;

upstream raw materials:

2-(3-Benzyloxy-4,5-dimethoxy-benzoyl)-4-oxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid ethyl ester

methyl 3-benzyloxy-4,5-dimethoxybenzoate

Downstream raw materials:

3,4-Dimethoxy-5-benzyloxyphenylaceticacid

Refernces

• 1、 Zhang, Liang,Zhang, Wei-Ge,Ma, En-Long,Wu, Lan,Bao, Kai,Wang, Xiao-Long,Wang, Yu-Ling,Song, Hong-Rui. "Synthesis and antiproliferative in-vitro activity of natural flavans and related compounds". . p. 650 - 655. Retrieved 2008/12/21.