4-Oxo-4-(2-phenylhydrazino)butanoic acid

Base Information

• Chemical Name: 4-Oxo-4-(2-phenylhydrazino)butanoic acid
• CAS No.: 14580-01-9
• Molecular Formula: C10H12 N2 O3
• Molecular Weight: 208.217
• Hs Code.: 2928000090
• European Community (EC) Number: 690-048-4
• NSC Number: 29176
• DSSTox Substance ID: DTXSID40884760
• Nikkaji Number: J650.181H
• Wikidata: Q82863404
• Mol file: 14580-01-9.mol

Synonyms:4-oxo-4-(2-phenylhydrazino)butanoic acid;14580-01-9;4-oxo-4-(2-phenylhydrazinyl)butanoic acid;Butanedioic acid, 1-(2-phenylhydrazide);NSC29176;3-(N'-phenylhydrazinecarbonyl)propanoic acid;3-(N'-Phenyl-hydrazinocarbonyl)-propionic acid;SCHEMBL491040;DTXSID40884760;NSC 29176;NSC-29176;STK059977;AKOS000319580;SB86431;4-oxo-4-(2-phenylhydrazinyl)butanoicacid;4-oxo-4-(2-phenylhydrazino) butanoic acid;CS-0446891;3-[N'-(Phenyl)hydrazinocarbonyl]propionic acid;A906444

Chemical Property of 4-Oxo-4-(2-phenylhydrazino)butanoic acid

Chemical Property:

• Vapor Pressure: 6.28E-06mmHg at 25°C
• Melting Point: 148-149 °C(Solv: ethanol (64-17-5))
• Boiling Point: 363.7°C at 760 mmHg
• PKA: 5.56±0.10(Predicted)
• Flash Point: 173.8°C
• PSA: 78.43000
• Density: 1.309g/cm³
• LogP: 1.45840
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

4-Oxo-4-(2-phenylhydrazino)butanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NNC(=O)CCC(=O)O

Technology Process of 4-Oxo-4-(2-phenylhydrazino)butanoic acid

There total 4 articles about 4-Oxo-4-(2-phenylhydrazino)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: 100.0%

succinic acid anhydride (108-30-5) + phenylhydrazine (100-63-0) → 4-oxo-4-(2-phenylhydrazinyl)butanoic acid (14580-01-9)

Guidance literature:

In acetonitrile; at 20 ℃; for 24h;

DOI:10.1021/jm300677j

Reference yield: 40.0%

succinic acid anhydride (108-30-5) + phenylhydrazine (100-63-0) → 1-(phenylamino)pyrrolidine-2,5-dione (61152-66-7) + 4-oxo-4-(2-phenylhydrazinyl)butanoic acid (14580-01-9) + N'1,N'4-diphenylsuccinohydrazide (35658-48-1) + hexahydro-2-phenyl-3-phenylhydrazonopyridazin-6-one (93299-64-0)

Guidance literature:

In acetic acid; Further byproducts given;

Reference yield: 40.0%

succinic acid anhydride (108-30-5) + phenylhydrazine (100-63-0) → 4-oxo-4-(2-phenylhydrazinyl)butanoic acid (14580-01-9) + N'1,N'4-diphenylsuccinohydrazide (35658-48-1) + 4,5-dihydro-3-hydroxy-1-phenylpyridazin-6-one (61446-43-3) + hexahydro-2-phenyl-3-phenylhydrazonopyridazin-6-one (93299-64-0)

Guidance literature:

In acetic acid; Further byproducts given;

upstream raw materials:

succinic acid anhydride

ethanol

phenylhydrazine

Downstream raw materials:

N'1,N'4-diphenylsuccinohydrazide

Sudan I

hexahydro-2-phenyl-3-phenylhydrazonopyridazin-6-one

RuCl₂(PPh₃)2(4-oxo-4-(2-phenylhydrazino)butanoic acid^(1-))