Acetic acid, diphenoxy-

Base Information

• Chemical Name: Acetic acid, diphenoxy-
• CAS No.: 729-89-5
• Molecular Formula: C14H12 O4
• Molecular Weight: 244.247
• Hs Code.: 2918990090
• European Community (EC) Number: 211-981-1
• NSC Number: 522021,406
• UNII: QV1X7J421G
• DSSTox Substance ID: DTXSID50223202
• Nikkaji Number: J54.210E
• Wikidata: Q83101614
• Mol file: 729-89-5.mol

Synonyms:2,2-diphenoxyacetic acid;ACETIC ACID, DIPHENOXY-;729-89-5;Diphenoxyacetic acid;Medifoxamine acid metabolite;NSC 406;EINECS 211-981-1;Glyoxylic acid, 2-(diphenyl acetal);NSC 522021;BRN 1976205;QV1X7J421G;NSC-406;MFCD01672171;NSC-522021;4-06-00-00659 (Beilstein Handbook Reference);UNII-QV1X7J421G;NSC406;SCHEMBL2464979;MEDIFOXAMINEACIDMETABOLITE;DTXSID50223202;NSC522021;ACETIC ACID, 2,2-DIPHENOXY-;AKOS017344780;GLYOXYLIC ACID, DIPHENYL ACETAL

Chemical Property of Acetic acid, diphenoxy-

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Boiling Point: 405.5°C at 760 mmHg
• Flash Point: 154.8°C
• PSA: 55.76000
• Density: 1.263g/cm³
• LogP: 2.55510
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

MEDIFOXAMINE ACID METABOLITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(C(=O)O)OC2=CC=CC=C2

Technology Process of Acetic acid, diphenoxy-

There total 12 articles about Acetic acid, diphenoxy- 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:

methyl α-bromo-2-phenoxyacetate (86728-16-7) → 1,1-bisacetic acid (729-89-5)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In benzene; at 20 ℃; for 4h; Yield given;

DOI:10.1055/s-1983-30429

Reference yield:

methyl 2-phenoxyacetate (2065-23-8) → 1,1-bisacetic acid (729-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / N-bromosuccinimide / benzoyl peroxide / CCl₄ / 0.5 h / Heating

2: 50percent aq.NaOH / tetrabutylammonium bromide / benzene / 4 h / 20 °C

With sodium hydroxide; N-Bromosuccinimide; tetrabutylammomium bromide; dibenzoyl peroxide; In tetrachloromethane; benzene;

DOI:10.1055/s-1983-30429

Reference yield:

sodium phenoxide (139-02-6) → 1,1-bisacetic acid (729-89-5)

Guidance literature:

With water; at 110 ℃;

upstream raw materials:

dichloro-acetic acid

sodium phenoxide

ethanol

ethyl diphenyloxyacetate

Downstream raw materials:

diphenoxy-acetic acid phenyl ester

bis-(4-bromo-phenoxy)-acetic acid

ethyl diphenyloxyacetate

diphenoxyacetyl chloride

Refernces