4-[Acetyl(methyl)amino]benzoic acid

Base Information

• Chemical Name: 4-[Acetyl(methyl)amino]benzoic acid
• CAS No.: 26961-99-9
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• NSC Number: 138296
• DSSTox Substance ID: DTXSID00300673
• Nikkaji Number: J1.125.037H
• Wikidata: Q82043933

Synonyms:26961-99-9;4-[acetyl(methyl)amino]benzoic acid;4-(N-Methylacetamido)benzoic acid;NSC138296;SCHEMBL8953838;4-(N-Methylacetamido)benzoicacid;DTXSID00300673;WPHGIIWEXHFKHI-UHFFFAOYSA-N;BBA96199;AKOS022644294;NSC-138296;4-(N-acetyl-N-methylamino)benzoic acid;4-(N-acetyl-N-methyl-amino)benzoic acid;BS-32201;CS-0116676;EN300-186835;Z1262515023

Chemical Property of 4-[Acetyl(methyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 4.11E-06mmHg at 25°C
• Boiling Point: 369.5°C at 760 mmHg
• Flash Point: 177.3°C
• Density: 1.257g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=CC=C(C=C1)C(=O)O

Technology Process of 4-[Acetyl(methyl)amino]benzoic acid

There total 3 articles about 4-[Acetyl(methyl)amino]benzoic 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: 84.0%

N-methyl-p-aminobenzoic acid (10541-83-0,937737-33-2) → 4-(N-acetyl-N-methylamino)benzoic acid (26961-99-9)

Guidance literature:

With acetic anhydride; In pyridine;

Reference yield: 72.0%

carbon dioxide (124-38-9,18923-20-1) + N-(4-chloro-phenyl)-N-methylacetamide (10219-10-0) → 4-(N-acetyl-N-methylamino)benzoic acid (26961-99-9)

Guidance literature:

carbon dioxide; N-(4-chloro-phenyl)-N-methylacetamide; With manganese; bis(triphenylphosphine)nickel(II) chloride; tetraethylammonium iodide; triphenylphosphine; In 1,3-dimethyl-2-imidazolidinone; at 25 ℃; for 20h; under 760.051 Torr;

With hydrogenchloride; water; In diethyl ether; at 20 ℃; for 0.166667h;

DOI:10.1021/ja303514b

Reference yield:

→ 4-(N-acetyl-N-methylamino)benzoic acid (26961-99-9)

Guidance literature:

p-Methylaminobenzoesaeure, Essigsaeureanhydrid, Eg.;

upstream raw materials:

N-methyl-p-aminobenzoic acid

carbon dioxide

N-(4-chloro-phenyl)-N-methylacetamide

Downstream raw materials:

4-(N-acetyl-N-methylamino)iodobenzene

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