Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate

Base Information

• Chemical Name: Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
• CAS No.: 59709-38-5
• Deprecated CAS: 360773-71-3
• Molecular Formula: C₂₀H₂₀BrClN₄O₆
• Molecular Weight: 527.759
• European Community (EC) Number: 261-874-9
• DSSTox Substance ID: DTXSID3069350
• Nikkaji Number: J38.450J
• Mol file: 59709-38-5.mol

Synonyms:59709-38-5;EINECS 261-874-9;Methyl N-4-(2-bromo-6-chloro-4-nitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-alaninate;Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate;METHYL N-[4-[(2-BROMO-6-CHLORO-4-NITROPHENYL)AZO]PHENYL]-N-(3-METHOXY-3-OXOPROPYL)-BETA-ALANINATE;.beta.-Alanine, N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester;3,3'-((4-((2-Bromo-4-nitro-6-chlorophenyl)azo)phenyl)imino)bis(propanoic acid), dimethyl ester;beta-Alanine, N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester;beta-Alanine, N-(4-(2-(2-bromo-6-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester;C20H20BrClN4O6;DTXSID3069350;SCHEMBL11295035;C20-H20-Br-Cl-N4-O6;3,3'-[4-(2-Bromo-4-nitro-6-chlorophenyl)azophenylimino]dipropionic acid dimethyl ester

Chemical Property of Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Boiling Point: 626.8±55.0 °C(Predicted)
• PKA: 0.98±0.50(Predicted)
• Flash Point: 332.9oC
• PSA: 126.38000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 5.88190
• Water Solubility.: 40μg/L at 20℃
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 526.02547
• Heavy Atom Count: 32
• Complexity: 651

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

Technology Process of Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate

There total 1 articles about Methyl N-(4-((2-bromo-6-chloro-4-nitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate 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:

1-amino-2-bromo-4-nitro-6-chlorobenzene (99-29-6) + C14H20N2O4 → C20H20BrClN4O6 (59709-38-5)

Guidance literature:

1-amino-2-bromo-4-nitro-6-chlorobenzene; With nitrosylsulfuric acid; sulfuric acid; at 20 - 30 ℃; for 5h; Industrial scale;

C₁₄H₂₀N₂O₄; With aminosulfonic acid; at 5 - 80 ℃; for 5h; Industrial scale;

upstream raw materials:

1-amino-2-bromo-4-nitro-6-chlorobenzene

Refernces