Ethyl [(4-bromophenyl)amino]acetate

Base Information

• Chemical Name: Ethyl [(4-bromophenyl)amino]acetate
• CAS No.: 2521-92-8
• Molecular Formula: C10H12 Br N O2
• Molecular Weight: 258.115
• Hs Code.: 2921490090
• NSC Number: 190325
• DSSTox Substance ID: DTXSID70307174
• Nikkaji Number: J2.487.439G
• Wikidata: Q82054531
• Mol file: 2521-92-8.mol

Synonyms:2521-92-8;ethyl [(4-bromophenyl)amino]acetate;ethyl N-(4-bromophenyl)glycinate;ETHYL 2-[(4-BROMOPHENYL)AMINO]ACETATE;ethyl 2-(4-bromoanilino)acetate;Ethyl 2-((4-bromophenyl)amino)acetate;ethyl (4-bromoanilino)acetate;Ethyl (4-bromophenyl)glycinate;SCHEMBL12924931;DTXSID70307174;MFCD00461415;NSC190325;STK057788;AKOS000254205;Ethyl2-((4-bromophenyl)amino)acetate;FS-5519;NSC-190325;BB 0241507;CS-0450083;(4-Bromo-phenylamino)-acetic acid ethyl ester;EN300-101374;F70060;Ethyl N-(4-bromophenyl)glycinate (Ph(4-Br)-Gly-OEt)

Chemical Property of Ethyl [(4-bromophenyl)amino]acetate

Chemical Property:

• Vapor Pressure: 0.000284mmHg at 25°C
• Melting Point: 95-96 °C
• Boiling Point: 322.2°C at 760 mmHg
• PKA: 1.38±0.50(Predicted)
• Flash Point: 148.7°C
• PSA: 38.33000
• Density: 1.449g/cm³
• LogP: 2.49710
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 257.00514
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

Ethyl2-[(4-bromophenyl)amino]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=C(C=C1)Br

Technology Process of Ethyl [(4-bromophenyl)amino]acetate

There total 7 articles about Ethyl [(4-bromophenyl)amino]acetate 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: 97.0%

diazoacetic acid ethyl ester (623-73-4) + 4-bromo-aniline (106-40-1) → ethyl 2-((4-bromophenyl)amino)acetate (2521-92-8)

Guidance literature:

NCPS-Ru; In toluene; at 70 ℃; Conversion of starting material;

Reference yield: 69.0%

chloroacetic acid ethyl ester (105-39-5) + 4-bromo-aniline (106-40-1) → ethyl 2-((4-bromophenyl)amino)acetate (2521-92-8)

Guidance literature:

chloroacetic acid ethyl ester; With sodium iodide dihydrate; In acetone; at 20 ℃; for 1h;

4-bromo-aniline; With potassium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.3184/174751913X13729583884275

Reference yield: 67.0%

ethyl vinyl ether (109-92-2,25104-37-4) + 4-bromo-aniline (106-40-1) → ethyl 2-((4-bromophenyl)amino)acetate (2521-92-8)

Guidance literature:

With dihydrogen peroxide; palladium diacetate; In water; N,N-dimethyl-formamide; at 70 ℃; for 12h;

DOI:10.1002/anie.201709285

upstream raw materials:

chloroacetic acid ethyl ester

4-bromo-aniline

ethanol

N‐(4-bromophenyl)glycine

Downstream raw materials:

2-(4-bromophenylamino)acetohydrazide

C₁₅H₁₅BrN₄OS

ethyl 2-(4-bromophenylamino)-4-oxopentanoate

ethyl 1-(1-(4-bromophenylamino)-2-ethoxy-2-oxoethyl)-2-oxocyclopentanecarboxylate