4-amino-N,3-dimethylbenzamide

Base Information

• Chemical Name: 4-amino-N,3-dimethylbenzamide
• CAS No.: 926263-13-0
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• European Community (EC) Number: 836-671-9
• DSSTox Substance ID: DTXSID80588194
• Wikidata: Q82480714
• Mol file: 926263-13-0.mol

Synonyms:4-amino-N,3-dimethylbenzamide;926263-13-0;4-Amino-N,3-dimethylbenzamide x1hcl;SCHEMBL385362;DTXSID80588194;NXJKKMUCCPHXMG-UHFFFAOYSA-N;AKOS000113225;MCULE-7152114559;DA-40468;CS-0118585;EN300-39699;Z239124740

Chemical Property of 4-amino-N,3-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 323.995°C at 760 mmHg
• Flash Point: 149.747°C
• PSA: 55.12000
• Density: 1.107g/cm³
• LogP: 1.90890
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

4-amino-N,3-dimethylbenzamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)NC)N

Technology Process of 4-amino-N,3-dimethylbenzamide

There total 3 articles about 4-amino-N,3-dimethylbenzamide 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: 18.4%

4-amino 3-methylbenzoic acid (2486-70-6) + methylamine hydrochloride (593-51-1) → 4-amino-N,3-dimethylbenzamide (926263-13-0)

Guidance literature:

With sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 25 ℃; for 15h;

Reference yield:

4-amino 3-methylbenzoic acid (2486-70-6) → 4-amino-N,3-dimethylbenzamide (926263-13-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: tetrahydrofuran / 20 °C

With thionyl chloride; In tetrahydrofuran;

DOI:10.1007/s13738-012-0176-2

Reference yield:

C8H8ClNO + methylamine (74-89-5) → 4-amino-N,3-dimethylbenzamide (926263-13-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1007/s13738-012-0176-2

upstream raw materials:

4-amino 3-methylbenzoic acid

methylamine hydrochloride

methylamine

Downstream raw materials:

C₂₅H₂₈N₂O₄

(S)-N,3-dimethyl-4-((5-(2-methylbenzo[d]oxazol-6-yl)-4-((tetrahydrofuran-3-yl)oxy)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)benzamide

4-((4-((4-hydroxy-4-methylcyclohexyl)oxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-N,3-dimethylbenzamide

4-((4-(((1r,4r)-4-hydroxy-4-methylcyclohexyl)oxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-N,3-dimethylbenzamide