4-Cyano-4-phenylheptanedioic acid

Base Information

• Chemical Name: 4-Cyano-4-phenylheptanedioic acid
• CAS No.: 37563-99-8
• Molecular Formula: C₁₄H₁₅NO₄
• Molecular Weight: 261.277
• NSC Number: 124723
• DSSTox Substance ID: DTXSID60298628
• Wikidata: Q82040541
• Mol file: 37563-99-8.mol

Synonyms:37563-99-8;4-cyano-4-phenylheptanedioic acid;NSC124723;4-cyano-4-phenylpimelic acid;SCHEMBL11075302;DTXSID60298628;GGMMIMNCDHPFQT-UHFFFAOYSA-N;NSC-124723

Chemical Property of 4-Cyano-4-phenylheptanedioic acid

Chemical Property:

• Vapor Pressure: 2.91E-10mmHg at 25°C
• Boiling Point: 486.1°C at 760 mmHg
• Flash Point: 247.8°C
• Density: 1.275g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Cyano-4-phenylheptanedioic acid

There total 5 articles about 4-Cyano-4-phenylheptanedioic 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:

methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate (38289-20-2) → 4-cyano-4-phenyl-heptanedioic acid (37563-99-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01123a056

Reference yield:

dimethyl 4-cyano-4-phenylheptanedioate (38289-18-8) → 4-cyano-4-phenyl-heptanedioic acid (37563-99-8)

Guidance literature:

DOI:10.1021/ja01123a056

Reference yield:

phenylacetonitrile (140-29-4) → 4-cyano-4-phenyl-heptanedioic acid (37563-99-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂

2: aq.-ethanolic NaOH

With sodium hydroxide; sodium amide;

upstream raw materials:

dimethyl 4-cyano-4-phenylheptanedioate

methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate

γ-cyano-γ-phenylpimelonitrile

phenylacetonitrile