3-Methyl-3-phenylglutaric acid

Base Information

• Chemical Name: 3-Methyl-3-phenylglutaric acid
• CAS No.: 4160-92-3
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2917399090
• European Community (EC) Number: 223-999-7
• NSC Number: 51135
• UNII: Q4RC4BBG69
• DSSTox Substance ID: DTXSID50194428
• Nikkaji Number: J224.961H
• Wikidata: Q83067174
• ChEMBL ID: CHEMBL76143
• Mol file: 4160-92-3.mol

Synonyms:3-methyl-3-phenylpentanedioic acid;4160-92-3;3-Methyl-3-phenylglutaric acid;NSC51135;NSC-51135;Q4RC4BBG69;EINECS 223-999-7;Glutaric acid, 3-methyl-3-phenyl-;3-methyl-3-phenylpentanedioicacid;UNII-Q4RC4BBG69;NCIStruc1_000621;NCIStruc2_000545;CHEMBL76143;SCHEMBL1604043;3-methyl-3-phenyl-glutaric acid;DTXSID50194428;NCI51135;CCG-38234;MFCD00020491;NCGC00013636;NSC 51135;AKOS015917443;Pentanedioic acid, 3-methyl-3-phenyl-;NCGC00013636-02;NCGC00096748-01;AM805841;BS-41756;NCI60_004235;CS-0037805;FT-0658712;EN300-115845;A825609;Z1492979974

Chemical Property of 3-Methyl-3-phenylglutaric acid

Chemical Property:

• Vapor Pressure: 4.36E-06mmHg at 25°C
• Boiling Point: 368.7°Cat760mmHg
• Flash Point: 191°C
• PSA: 74.60000
• Density: 1.245g/cm³
• LogP: 1.89370
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

3-Methyl-3-phenylpentanedioicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1

Technology Process of 3-Methyl-3-phenylglutaric acid

There total 3 articles about 3-Methyl-3-phenylglutaric 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:

→ 3-methyl-3-phenylpentanedioic acid (4160-92-3)

Guidance literature:

With sulfuric acid;

Reference yield:

sodium diethylmalonate (996-82-7,34727-00-9,73177-21-6) + 1,1-dichloroethylbenzene (3141-41-1) → 3-methyl-3-phenylpentanedioic acid (4160-92-3)

Guidance literature:

With benzene; Erhitzen des Reaktionsprodukts mit wss. Salzsaeure;

Reference yield:

sulfuric acid (7664-93-9) + 4-methyl-4-phenyl-3,5-dicyano-2,6-piperidinedione (6936-95-4) + acetic acid (64-19-7,77671-22-8) → 3-methyl-3-phenylpentanedioic acid (4160-92-3)

Guidance literature:

DOI:10.1021/ja01548a030

upstream raw materials:

sodium diethylmalonate

1,1-dichloroethylbenzene

sulfuric acid

4-methyl-4-phenyl-3,5-dicyano-2,6-piperidinedione

Downstream raw materials:

4-methyl-4-phenylpiperidine-2,6-dione

1-[4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-4-phenylpiperidine-2,6-dione

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-4-phenylpiperidine-2,6-dione

1-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-4-phenylpiperidine-2,6-dione