2-(Cyclohexylamino)benzoic acid

Base Information

• Chemical Name: 2-(Cyclohexylamino)benzoic acid
• CAS No.: 10286-53-0
• Molecular Formula: C13H17 N O2
• Molecular Weight: 219.283
• Hs Code.: 2922499990
• UNII: B519KGK87P
• DSSTox Substance ID: DTXSID60600368
• Metabolomics Workbench ID: 150222
• Nikkaji Number: J2.542.856K
• Wikidata: Q27095953
• Mol file: 10286-53-0.mol

Synonyms:2-(cyclohexylamino)benzoic acid;10286-53-0;2-CYCLOHEXYLAMINO-BENZOIC ACID;B519KGK87P;Benzoic acid, 2-(cyclohexylamino)-;2-(cyclohexylamino)benzoicacid;UNII-B519KGK87P;Oprea1_006076;SCHEMBL3274851;DTXSID60600368;MFCD01788119;AKOS009313819;DB07038;SB79428;PD005667;TS-03143;DB-093355;CS-0234995;NS00071651;EN300-151533;G27553;Q27095953;Z381345968;3B4

Chemical Property of 2-(Cyclohexylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 6E-07mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 395°C at 760 mmHg
• Flash Point: 192.7°C
• PSA: 49.33000
• Density: 1.192g/cm³
• LogP: 3.20240
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclohexylamino)benzoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=CC=CC=C2C(=O)O

Technology Process of 2-(Cyclohexylamino)benzoic acid

There total 6 articles about 2-(Cyclohexylamino)benzoic 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: 96.0%

N-(tert-butyl)-2-(cyclohexylamino)benzamide → 2-(cyclohexylamino)benzoic acid (10286-53-0)

Guidance literature:

With sulfuric acid; In water; at 100 ℃; for 12h;

DOI:10.1021/acscatal.5b02165

Reference yield: 93.0%

cyclohexylamine (108-91-8,157973-60-9) + ortho-chlorobenzoic acid (118-91-2) → 2-(cyclohexylamino)benzoic acid (10286-53-0)

Guidance literature:

With copper(I) oxide; copper; potassium carbonate; In various solvent(s); at 130 ℃; for 24h;

DOI:10.1055/s-2007-990875

Reference yield: 91.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(cyclohexylamino)benzoic acid (10286-53-0)

Guidance literature:

cyclohexanone; anthranilic acid; With chloro-trimethyl-silane; In N,N-dimethyl-formamide; Schlenk technique; Inert atmosphere;

With borane-THF; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0035-1561384

upstream raw materials:

cyclohexylamine

2-bromobenzoic-acid

ortho-chlorobenzoic acid

cyclohexanone