Dimethyl 3-phenylpentanedioate

Base Information

• Chemical Name: Dimethyl 3-phenylpentanedioate
• CAS No.: 19006-47-4
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• European Community (EC) Number: 624-244-8
• Nikkaji Number: J307.723C
• Mol file: 19006-47-4.mol

Synonyms:Dimethyl 3-phenylpentanedioate;19006-47-4;DIMETHYL 3-PHENYLGLUTARATE;3-Phenylglutaric acid dimethyl ester;Pentanedioic acid, 3-phenyl-, dimethyl ester;SCHEMBL7995142;ZJXYACWWRPIGEQ-UHFFFAOYSA-N;AKOS024323631

Chemical Property of Dimethyl 3-phenylpentanedioate

Chemical Property:

• PSA: 52.60000
• LogP: 1.89640
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

98% ^*data from raw suppliers

DIMETHYL 3-PHENYLGLUTARATE Aldrich ^*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: COC(=O)CC(CC(=O)OC)C1=CC=CC=C1

Technology Process of Dimethyl 3-phenylpentanedioate

There total 9 articles about Dimethyl 3-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: 86.0%

ketene t-butyldimethylsilyl methyl acetal (77086-38-5) + methyl cinnamate (103-26-4,1754-62-7) → dimethyl 3-phenylpentanedioate (19006-47-4)

Guidance literature:

LiCo(B₉C₂H₁₁)2; In 1,2-dichloro-ethane; for 0.416667h; Ambient temperature;

DOI:10.1021/jo00102a009

Reference yield:

3-phenylglutaric acid (4165-96-2) + methyl iodide (74-88-4) → dimethyl 3-phenylpentanedioate (19006-47-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 35 ℃; for 4h;

Reference yield:

Methyl cinnamate (103-26-4,1754-62-7) + bromoacetic acid methyl ester (96-32-2) → dimethyl 3-phenylpentanedioate (19006-47-4) + 2-benzyl-malonic acid dimethyl ester (49769-78-0)

Guidance literature:

With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile); In ethanol; at 80 ℃; for 15h; Irradiation;

DOI:10.1016/S0040-4039(01)80908-4

upstream raw materials:

methanol

3-phenylglutaric acid

carbon monoxide

isopropenylbenzene

Downstream raw materials:

1,5-Ditosyloxy-3-phenylpentan

4-phenylpiperidine-2,6-dione

3-phenyl-pentanedioic acid monomethyl ester

3-phenyl-pentanedioic acid monomethyl ester