Dimethyl 2-phenylpentanedioate

Base Information

• Chemical Name: Dimethyl 2-phenylpentanedioate
• CAS No.: 10436-86-9
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• DSSTox Substance ID: DTXSID501297174
• Nikkaji Number: J913.029B
• Mol file: 10436-86-9.mol

Synonyms:dimethyl 2-phenylpentanedioate;dimethyl phenyl glutarate;SCHEMBL19002198;DTXSID501297174;2-Phenylglutaric acid dimethyl ester;2-phenyl-pentanedioic acid dimethyl ester;1,5-DIMETHYL 2-PHENYLPENTANEDIOATE;10436-86-9

Chemical Property of Dimethyl 2-phenylpentanedioate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 2-phenylpentanedioate

There total 11 articles about Dimethyl 2-phenylpentanedioate 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: 92.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + benzeneacetic acid methyl ester (101-41-7) → dimethyl 2-phenylpentanedioate (10436-86-9)

Guidance literature:

With crown ether; potassium tert-butylate; In toluene; at -78 ℃; for 1h; Product distribution; var. crown ethers, reaction times;

Reference yield: 84.0%

methanol (67-56-1) + 5-oxo-5-phenylvaleric acid (1501-05-9) → dimethyl 2-phenylpentanedioate (10436-86-9)

Guidance literature:

With sulfuric acid; trimethyl orthoformate; for 0.333333h; Heating;

DOI:10.1016/j.tetlet.2007.02.129

Reference yield: 80.0%

5-oxo-5-phenylvaleric acid (1501-05-9) + trimethyl orthoformate (149-73-5) → dimethyl 2-phenylpentanedioate (10436-86-9)

Guidance literature:

With thallium(III) nitrate; In methanol; for 3h; Heating;

DOI:10.1021/jo00194a037

upstream raw materials:

diazomethane

2-phenylglutaric acid

acrylic acid methyl ester

benzeneacetic acid methyl ester

Downstream raw materials:

dimethyl (S)-2-phenylglutarate

dimethyl (R)-2-phenylglutarate

(+/-)-2-phenyl-1,5-pentanediol