2-Propionamidobenzoic acid

Base Information

• Chemical Name: 2-Propionamidobenzoic acid
• CAS No.: 19165-26-5
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80390815
• Nikkaji Number: J1.227.692C
• Wikidata: Q72502451
• Mol file: 19165-26-5.mol

Synonyms:2-Propionamidobenzoic acid;19165-26-5;2-(PROPIONYLAMINO)BENZOIC ACID;2-(propanoylamino)benzoic acid;Benzoic acid, 2-[(1-oxopropyl)amino]-;ChemDiv2_002917;2-Propionamidobenzoicacid;2-propanamidobenzoic acid;N-propionylanthranilic acid;N-propionyl anthranilic acid;2-propionylamino-benzoic acid;2-(Propionylamino)benzoicacid;2-(propanylamino)benzoic acid;SCHEMBL111479;DTXSID80390815;CZERPPGRNIIZJK-UHFFFAOYSA-N;HMS1377E13;MFCD00247023;AKOS000132641;benzoic acid, 2-[(1-oxopropyl)amino];BS-35835;EN300-219199;Z85878916

Chemical Property of 2-Propionamidobenzoic acid

Chemical Property:

• Vapor Pressure: 5.5E-08mmHg at 25°C
• Melting Point: 114-115 °C
• Refractive Index: 1.603
• Boiling Point: 425.2°C at 760 mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 210.9°C
• PSA: 66.40000
• Density: 1.274g/cm³
• LogP: 1.80630
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98% ^*data from raw suppliers

2-propanamidobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1=CC=CC=C1C(=O)O

Technology Process of 2-Propionamidobenzoic acid

There total 10 articles about 2-Propionamidobenzoic 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: 80.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + propionic acid anhydride (123-62-6) → 2-(propionylamino)benzoic acid (19165-26-5)

Guidance literature:

for 1h; Heating;

DOI:10.1016/S1386-1425(99)00206-1

Reference yield: 79.4%

propionyl chloride (79-03-8) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(propionylamino)benzoic acid (19165-26-5)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

Reference yield: 32.0%

2-ethylindole (3484-18-2) → 2-(propionylamino)benzoic acid (19165-26-5)

Guidance literature:

With oxone; ethylenediaminetetraacetic acid; sodium hydrogencarbonate; In water; acetone; at 20 ℃; for 1.16667h;

DOI:10.3987/COM-13-12669

upstream raw materials:

2-ethylquinoline

N-o-tolylpropionamide

propionyl chloride

anthranilic acid

Downstream raw materials:

2-ethyl-benzo[d][1,3]oxazin-4-one

3-(2-chlorophenyl)-2-ethylquinazolin-4(3H)-one

Refernces

• 1、 Matsuda et al.. "-". . p. 430,432. Retrieved 1973.
• 2、 Vicens, J.,Etter, M. C.,Errede, L. A.. "SOLID STATE HYDROLYSIS OF ACETYLANTHRANYL - ASSISTANCE BY HYDROGEN BONDING". . p. 723 - 724. Retrieved 1983.
• 3、 Aristeo-Dominguez, Alberto,Melendez-Rodriguez, Myriam,Castillo, Oscar R. Suarez,Contreras-Martinez, Yaneth M. A.,Suarez-Ramirez, Lizbeth,Trejo-Carbajal, Nayely,Morales-Rios, Martha S.,Joseph-Nathan, Pedro. "Dimethyldioxirane oxidation of n-substituted-2-methylindoles to indoxyls and bisindoxyls". . p. 1249 - 1267. Retrieved 2013/07/19.