3,5-Diacetamidobenzoic acid

Base Information

• Chemical Name: 3,5-Diacetamidobenzoic acid
• CAS No.: 7743-39-7
• Molecular Formula: C11H12N2O4
• Molecular Weight: 236.227
• Hs Code.: 2924299090
• European Community (EC) Number: 231-804-1
• NSC Number: 369057
• UNII: WHS48E2MRA
• DSSTox Substance ID: DTXSID2064789
• Nikkaji Number: J326.540D
• Wikidata: Q81991820
• Mol file: 7743-39-7.mol

Synonyms:3,5-diacetamidobenzoic acid;3,5-diacetamidobenzoic acid monosodium salt;deiodinated sodium diatrizoate

Chemical Property of 3,5-Diacetamidobenzoic acid

Chemical Property:

• Vapor Pressure: 1.68E-14mmHg at 25°C
• Boiling Point: 584.4°C at 760 mmHg
• Flash Point: 307.2°C
• PSA: 95.50000
• LogP: 1.44760
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.07970687
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

98% ^*data from raw suppliers

3,5-bis(Acetylamino)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C

Technology Process of 3,5-Diacetamidobenzoic acid

There total 3 articles about 3,5-Diacetamidobenzoic 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: 91.0%

3.5-diaminobenzoic acid (535-87-5) + acetic anhydride (108-24-7) → 3,5-bis(acetamido)benzoic acid (7743-39-7)

Guidance literature:

With potassium carbonate; In water; at 20 ℃;

DOI:10.1016/j.tetasy.2006.10.026

Reference yield: 73.0%

3.5-diaminobenzoic acid (535-87-5) + acetyl chloride (75-36-5) → 3,5-bis(acetamido)benzoic acid (7743-39-7)

Guidance literature:

With pyridine; In diethyl ether; at 0 ℃; for 1h;

Reference yield:

→ 3,5-bis(acetamido)benzoic acid (7743-39-7)

Guidance literature:

Hydrierung v. 3.5-Diacetylamino-2.4.6-triiod-benzoesaeure an Raney-Nickel in methanol. KOH;

upstream raw materials:

3.5-diaminobenzoic acid

acetyl chloride

acetic anhydride

Downstream raw materials:

meso-mono<α-o-(3,5-diacetamidobenzenecarboxamido)phenyl>tris(α,α,α-o-pivalamidophenyl)porphyrin

2,4,6,triiodo-5-amino-3-acetylaminobenzoic acid

Refernces

• 1、 Komatsu, Teruyuki,Kumamoto, Shin-ichi,Nishide, Hiroyuki,Tsuchida, Eishun. "O2 and CO Binding Behavior of Double-Sided Porphyrinatoiron(II) Complexes Modified by Amide Residues". . p. 1640 - 1646. Retrieved 2007/10/02.