3-amino-N-isopropylbenzamide

Base Information

• Chemical Name: 3-amino-N-isopropylbenzamide
• CAS No.: 81882-62-4
• Molecular Formula: C₁₀H₁₄N₂O
• Molecular Weight: 178.234
• Hs Code.: 2924299090
• European Community (EC) Number: 279-842-8
• DSSTox Substance ID: DTXSID401002281
• Nikkaji Number: J296.132F
• Wikidata: Q82996412
• Mol file: 81882-62-4.mol

Synonyms:3-amino-N-isopropylbenzamide;81882-62-4;3-amino-N-propan-2-ylbenzamide;3-Amino-N-(isopropyl)benzamide;3-amino-N-(propan-2-yl)benzamide;EINECS 279-842-8;3-Amino-N-isopropyl-benzamide;SCHEMBL3650360;GYXJWWPQRQOJRM-UHFFFAOYSA-N;DTXSID401002281;3-Amino-N-(1-methylethyl)benzamide;BBL023673;MFCD09045316;STK864406;AKOS000129373;3-Amino-N-isopropylbenzamide, AldrichCPR;VS-07480;BB 0242887;CS-0197442;EN300-36748;F20024;3-Amino-N-(propan-2-yl)benzene-1-carboximidic acid;Z239124422

Chemical Property of 3-amino-N-isopropylbenzamide

Chemical Property:

• Vapor Pressure: 3.07E-05mmHg at 25°C
• Boiling Point: 355.7°C at 760 mmHg
• Flash Point: 168.9°C
• PSA: 55.12000
• Density: 1.077g/cm³
• LogP: 2.37910
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-N-isopropylbenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-amino-N-isopropylbenzamide

There total 5 articles about 3-amino-N-isopropylbenzamide 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%

→ 3-amino-N-isopropyl-benzamide (81882-62-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 20 ℃; for 12h;

Reference yield: 83.2%

N-isopropyl-3-nitrobenzamide (50445-53-9) → 3-amino-N-isopropyl-benzamide (81882-62-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/jm301419d

Reference yield:

meta-aminobenzoic acid (99-05-8,159139-79-4) + isopropylamine (75-31-0) → 3-amino-N-isopropyl-benzamide (81882-62-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

meta-aminobenzoic acid

isopropylamine

N-isopropyl-3-nitrobenzamide

3-nitrobenzoic acid

Downstream raw materials:

N-isopropyl-3-(3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureido)benzamide

3-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)ureido)-N-isopropylbenzamide

3-(3-(2-(2-(dimethylamino)ethoxy)-4-(5-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-yl)phenyl)ureido)-N-isopropylbenzamide

3-(3-(2-fluoro-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phenyl)ureido)-N-isopropylbenzamide