4-[4-({4-Nitrophenyl}diazenyl)(methyl)anilino]butanoic acid

Base Information

• Chemical Name: 4-[4-({4-Nitrophenyl}diazenyl)(methyl)anilino]butanoic acid
• CAS No.: 503428-63-5
• Molecular Formula: C₁₇H₁₈N₄O₄
• Molecular Weight: 342.354
• DSSTox Substance ID: DTXSID701038281
• ChEMBL ID: CHEMBL1717912
• Mol file: 503428-63-5.mol

Synonyms:MLS001178741;4-[4-({4-nitrophenyl}diazenyl)(methyl)anilino]butanoic acid;SMR000475642;4-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]butanoic acid;AA-516/31407019;CHEMBL1717912;BDBM78356;cid_4162554;FLSBHQJVJRJLRN-UHFFFAOYSA-N;DTXSID701038281;HMS2784A14;4-[N-methyl-4-(4-nitrophenyl)azo-anilino]butyric acid;4-[N-methyl-4-(4-nitrophenyl)azoanilino]butanoic acid;4-[methyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]butanoic acid;Butanoic acid, 4-[methyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-;503428-63-5

Chemical Property of 4-[4-({4-Nitrophenyl}diazenyl)(methyl)anilino]butanoic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 342.13280507
• Heavy Atom Count: 25
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(CCCC(=O)O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-[4-({4-Nitrophenyl}diazenyl)(methyl)anilino]butanoic acid

There total 1 articles about 4-[4-({4-Nitrophenyl}diazenyl)(methyl)anilino]butanoic 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: 22.0%

4-(methyl(phenyl)amino)butanoic acid (26488-79-9) + 4-nitro-aniline (100-01-6,104810-17-5) → 4-(methyl(4-((4-nitrophenyl)diazenyl)phenyl)amino)butanoic acid (503428-63-5)

Guidance literature:

4-nitro-aniline; With nitrosonium tetrafluoroborate; In acetonitrile; at 0 ℃; for 0.25h;

4-(methyl(phenyl)amino)butanoic acid; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1002/chem.201603617

Reference yield:

4-(methyl(4-((4-nitrophenyl)diazenyl)phenyl)amino)butanoic acid (503428-63-5) → C56H81N19O18

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / 1-methyl-pyrrolidin-2-one / 2 h / 20 °C

1.2: 20 °C

2.1: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 2.5 h / 20 °C

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one;

DOI:10.1002/chem.201603617

upstream raw materials:

4-(methyl(phenyl)amino)butanoic acid

4-nitro-aniline