2,3,4-Trimethoxyphenylacetic acid

Base Information

• Chemical Name: 2,3,4-Trimethoxyphenylacetic acid
• CAS No.: 22480-91-7
• Molecular Formula: C11H14O5
• Molecular Weight: 226.229
• European Community (EC) Number: 245-024-4
• UNII: I73T9BA54O
• DSSTox Substance ID: DTXSID10177010
• Nikkaji Number: J267.211A
• Wikidata: Q83047332
• Mol file: 22480-91-7.mol

Synonyms:2,3,4-Trimethoxyphenylacetic acid;22480-91-7;2-(2,3,4-trimethoxyphenyl)acetic acid;Benzeneacetic acid, 2,3,4-trimethoxy-;(2,3,4-Trimethoxyphenyl)acetic acid;2,3,4-Trimethoxy Phenyl Acetic Acid;I73T9BA54O;EINECS 245-024-4;Benzeneacetic acid,2,3,4-trimethoxy-;UNII-I73T9BA54O;SCHEMBL151820;DTXSID10177010;2,3,4-Trimethoxybenzeneacetic acid;2,3,4-trimethoxy-phenylacetic acid;2,3,4-trimethoxyphenyl acetic acid;MFCD00016820;AKOS001160168;FS-5585;(2,3,4-Trimethoxy-phenyl)-acetic acid;BB 0249010;CS-0207283;FT-0638238;EN300-14774;2-(3,4-dimethoxyphenyl)-2-methoxy-acetic acid;A816225;Z104510908

Chemical Property of 2,3,4-Trimethoxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 1.81E-05mmHg at 25°C
• Melting Point: 99 °C
• Boiling Point: 349 °C at 760 mmHg
• Flash Point: 132.6 °C
• PSA: 64.99000
• Density: 1.197 g/cm³
• LogP: 1.33950
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.08412354
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2,3,4-TRIMETHOXYPHENYL)ACETIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3,4-Trimethoxyphenylacetic acid

There total 6 articles about 2,3,4-Trimethoxyphenylacetic 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:

2-phenyl-4-(2,3,4-trimethoxy-benzylidene)-4H-oxazol-5-one (22558-28-7) → (2,3,4-trimethoxy-phenyl)-acetic acid (22480-91-7)

Guidance literature:

2-phenyl-4-(2,3,4-trimethoxy-benzylidene)-4H-oxazol-5-one; With sodium hydroxide; In water; for 10h; Reflux;

With dihydrogen peroxide; sodium hydroxide; In water; at 15 - 20 ℃;

DOI:10.1016/j.tet.2016.04.066

Reference yield:

2-(2,3,4-trimethoxyphenyl)acetonitrile (68913-85-9) → (2,3,4-trimethoxy-phenyl)-acetic acid (22480-91-7)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

2,3,4-trimethoxybenzaldehyde (2103-57-3) → (2,3,4-trimethoxy-phenyl)-acetic acid (22480-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium acetate; acetic anhydride / 100 - 120 °C

2.1: sodium hydroxide / water / 10 h / Reflux

2.2: 15 - 20 °C

With sodium acetate; acetic anhydride; sodium hydroxide; In water;

DOI:10.1016/j.tet.2016.04.066

upstream raw materials:

1-bromo-3,4,5-trimethoxybenzene

2',3',4'-trimethoxyacetophenone

2-(2,3,4-trimethoxyphenyl)acetonitrile

2,3,4-trimethoxybenzaldehyde

Downstream raw materials:

(5-{2-[2-(2,3,4-trimethoxy-phenyl)-acetylamino]-phenyl}-thiophen-2-yl)-acetic acid methyl ester

C₂₅H₂₇NO₆S

2,3,4-Trimethoxyphenyl-N-(2-(2,3,4-trimethoxyphenyl)ethyl)-acetamide

methyl 2,3,4-trimethoxyphenylacetate

Refernces

• 1、 -. "Anellated dihydropyridines and the use thereof for the production of pharmaceutical preparation". . . Retrieved 2008/06/13.