4'-Amino-N-methylacetanilide

Base Information

• Chemical Name: 4'-Amino-N-methylacetanilide
• CAS No.: 119-63-1
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• Hs Code.: 2921599090
• European Community (EC) Number: 204-339-7
• NSC Number: 7107
• DSSTox Substance ID: DTXSID2059489
• Nikkaji Number: J37.709K
• Wikidata: Q72439039
• Mol file: 119-63-1.mol

Synonyms:4-amino-N-acetyl-N-methylaniline;p-amino-N-acetyl-N-methylaniline;para-amino-N-acetyl-N-methylaniline

Chemical Property of 4'-Amino-N-methylacetanilide

Chemical Property:

• Melting Point: 70-71 °C
• Boiling Point: 323.111 °C at 760 mmHg
• PKA: 3.73±0.10(Predicted)
• Flash Point: 149.212 °C
• PSA: 46.33000
• Density: 1.146 g/cm³
• LogP: 1.83270
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

4''-Amino-N-methylacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=CC=C(C=C1)N
• Uses: 4''-Amino-N-methylacetanilide is one of the micropollutatnts used to study elimination of organic micropollutants in a municipal wastewater treatment plant.

Technology Process of 4'-Amino-N-methylacetanilide

There total 10 articles about 4'-Amino-N-methylacetanilide 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: 99.0%

N-(4-((diphenylmethylene)amino)phenyl)-N-methylacetamide (1446428-13-2) → 4-(N-methylacetamido)aniline (119-63-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In methanol; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja4056239

Reference yield: 88.2%

N-methyl-4-nitroacetanilide (121-95-9) → 4-(N-methylacetamido)aniline (119-63-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 12h;

Reference yield: 88.0%

tetramethylammonium fluoride (373-68-2) + N-acetyl-p-phenylenediamine (122-80-5) → 4-(N-methylacetamido)aniline (119-63-1)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 36h; chemoselective reaction;

DOI:10.1021/acs.orglett.9b04400

upstream raw materials:

N-methyl-4-nitroacetanilide

N-(4-Nitrophenyl)acetamide

N-acetyl-N-methylaniline

N-methylaniline

Downstream raw materials:

(Z)-[1-(4-(N-(methylcarbonyl)-N-methylamino)anilino)-1-phenylmethylene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid ethyl ester

N-[4-(cyclobutylamino-9H-purin-2-ylamino)phenyl]-N-methyl-acetamide

N-{4-[(6-bromoquinazolin-2-yl)amino]phenyl}-N-methylacetamide

tert-butyl (1-(5-fluoro-2-(4-(N-methylacetamido)phenylamino)pyrimidin-4-yl)piperidin-4-yl)methylcarbamate

Refernces

• 1、 Cheng, Hong-Gang,Pu, Maoping,Kundu, Gourab,Schoenebeck, Franziska. "Selective Methylation of Amides, N-Heterocycles, Thiols, and Alcohols with Tetramethylammonium Fluoride". supporting information. p. 331 - 334. Retrieved 2019/12/30.
• 2、 -. "Substituted Isoquinolinones and Quinazolinones". Page/Page column 100. . Retrieved 2011/10/10.