Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester

Base Information

• Chemical Name: Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester
• CAS No.: 86514-37-6
• Molecular Formula: C15H16N2O2
• Molecular Weight: 256.304
• Hs Code.: 2924299090
• European Community (EC) Number: 617-870-8
• DSSTox Substance ID: DTXSID40542797
• Wikidata: Q82419562
• Mol file: 86514-37-6.mol

Synonyms:86514-37-6;Diphenylamino-3-carbaminoethyl ester;Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester;ethyl N-(2-aminophenyl)-N-phenylcarbamate;N-(2-aminophenyl)-N-phenylcarbamic acid ethyl ester;ethyl N-(2-aminophenyl)-N-phenyl-carbamate;SCHEMBL11001769;DTXSID40542797;VQDKFHKDYVWQCC-UHFFFAOYSA-N;Diphenylamino-3-carbaminoethylester;ethyl 2-aminophenyl(phenyl)carbamate;ETHYL (2-AMINOPHENYL)PHENYLCARBAMATE;(2-aminophenyl)-phenylcarbamic acid ethyl ester;A841693

Chemical Property of Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester

Chemical Property:

• Melting Point: 73.0～80.0℃
• Boiling Point: 407.5±28.0 °C(Predicted)
• PKA: 4.12±0.10(Predicted)
• PSA: 55.56000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 4.14460
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.121177757
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL(2-AMINOPHENYL)PHENYLCARBAMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2N

Technology Process of Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester

There total 2 articles about Carbamic acid, (2-aminophenyl)phenyl-, ethyl ester 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: 93.0%

ethyl 2-nitro-N-phenylbenzene-1-carbamate (86514-36-5) → ethyl 2-amino-N-phenylbenzene-1-carbamate (86514-37-6)

Guidance literature:

With hydrogen; nickel; In ethanol; at 20 ℃; for 29h;

DOI:10.1002/hlca.19870700817

Reference yield:

2-nitro-N-phenylaniline (119-75-5) → ethyl 2-amino-N-phenylbenzene-1-carbamate (86514-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, room temp., 3 h; 2.) pH=8, room temp., 30 min

2: 93 percent / hydrogen / Raney-Ni / ethanol / 29 h / 20 °C

With hydrogen; sodium hydride; nickel; In ethanol;

DOI:10.1002/hlca.19870700817

Reference yield:

ethyl 2-amino-N-phenylbenzene-1-carbamate (86514-37-6) → [2-(N-ethoxycarbonylphenylamino)-phenylazo]-(2-chloroacetamido)-malonic acid diethyl ester

Guidance literature:

With hydrogenchloride; potassium carbonate; In acetic acid; acetone;

upstream raw materials:

ethyl 2-nitro-N-phenylbenzene-1-carbamate

2-nitro-N-phenylaniline

Downstream raw materials:

diethyl 2-(2-chloroacetamido)-2-<<2-(N-ethoxycarbonyl-N-phenylamino)phenyl>azo>malonate

4,5-dihydro-5-phenyl<1,2,4>triazolo<1,5-a>quinoxaline-2-carboxylic acid

5-(chloromethyl)-1-<2-(N-ethoxycarbonyl-N-phenylamino)phenyl>-1H-1,2,4-triazole-3-carboxylic acid

4,5-dihydro-5-phenyl<1,2,4>triazolo<1,5-a>quinoxaline-2-methanol

Refernces

• 1、 Heckendorn, Roland. "NOVEL HETEROCYCLES BY THE MALONIC ESTER VARIATION OF THE JAPP-KLINGEMANN REACTION". . p. 921 - 944. Retrieved 2007/10/02.