2-amino-N-propylbenzamide

Base Information

• Chemical Name: 2-amino-N-propylbenzamide
• CAS No.: 56814-10-9
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60364711
• Nikkaji Number: J1.782.258F
• Wikidata: Q82148814
• ChEMBL ID: CHEMBL2263372
• Mol file: 56814-10-9.mol

Synonyms:2-amino-N-propylbenzamide;56814-10-9;2-Amino-N-propyl-benzamide;N-propylanthranilamide;TimTec1_002201;Oprea1_423484;F3034-0134;SCHEMBL2061977;CHEMBL2263372;DTXSID60364711;HMS1540E01;BBL001798;MFCD02374350;STK889346;AKOS000117560;VS-00879;CS-0213018;FT-0640411;EN300-09840;VU0507760-1;A831184;BRD-K21983870-001-01-2;Z56347081

Chemical Property of 2-amino-N-propylbenzamide

Chemical Property:

• Vapor Pressure: 1.77E-05mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 363.7 °C at 760 mmHg
• Flash Point: 173.8 °C
• PSA: 55.12000
• Density: 1.079g/cm³
• LogP: 2.38070
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=O)C1=CC=CC=C1N

Technology Process of 2-amino-N-propylbenzamide

There total 13 articles about 2-amino-N-propylbenzamide 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: 96.5%

propylamine (107-10-8,42939-71-9) + isatoic anhydride (118-48-9) → 2-amino-N-propylbenzamide (56814-10-9)

Guidance literature:

In 1,4-dioxane; at 60 - 70 ℃; for 1.5h;

DOI:10.1002/hc.1107

Reference yield: 35.69%

propylamine (107-10-8,42939-71-9) + 2-aminobenzoyl chloride (21563-73-5) → 2-amino-N-propylbenzamide (56814-10-9)

Guidance literature:

In diethyl ether; at 0 - 10 ℃; for 0.5h;

DOI:10.1007/s00044-010-9537-5

Reference yield:

2-(propylcarbamoyl-phenyl)-carbamic acid tert-butyl ester (1022964-01-7) → 2-amino-N-propylbenzamide (56814-10-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2010.11.045

upstream raw materials:

propylamine

isatoic anhydride

anthranilic acid

indole-2,3-dione

Downstream raw materials:

2-[5-chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-propyl-benzamide

2-(2,5-dichloro-pyrimidin-4-ylamino)-N-propyl-benzamide

3‐propyl‐2‐thioxo‐2,3‐dihydroquinazolin‐4(1H)‐one

2-ethyl-3H-quinazolin-4-one