Propanedioic acid, (4-phenylbutyl)-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, (4-phenylbutyl)-, dimethyl ester
• CAS No.: 62565-07-5
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.321
• DSSTox Substance ID: DTXSID80455913
• Wikidata: Q82278075

Synonyms:Propanedioic acid, (4-phenylbutyl)-, dimethyl ester;62565-07-5;DTXSID80455913

Chemical Property of Propanedioic acid, (4-phenylbutyl)-, dimethyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCCCC1=CC=CC=C1)C(=O)OC

Technology Process of Propanedioic acid, (4-phenylbutyl)-, dimethyl ester

There total 3 articles about Propanedioic acid, (4-phenylbutyl)-, dimethyl ester 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: 91.0%

4-Phenylbut-1-ene (768-56-9) + malonic acid dimethyl ester (108-59-8) → Dimethyl-4-phenylbutylmalonate (62565-07-5)

Guidance literature:

With 1,2-bis(2,4,6-triisopropylphenyl)disulfane; [Ir(dF(CH₃)ppy)₂(dtbbpy)]BAr^F₄; C₁₁H₂₄BNO; at 25 - 30 ℃; for 48h; Reagent/catalyst; Temperature; Time; Catalytic behavior; Mechanism; Quantum yield; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/jacs.1c05852

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + dimethyl (E)-cinnamylidenemalonate (66684-74-0) → Dimethyl-4-phenylbutylmalonate (62565-07-5)

Guidance literature:

Multistep reaction; (i) Et₂O, CHCl₃, (ii) toluene, (iii) H₂, Pd-C, EtOH;

DOI:10.1248/cpb.24.3034

Reference yield:

1-Chloro-4-phenylbutane (4830-93-7) + malonic acid dimethyl ester (108-59-8) → Dimethyl-4-phenylbutylmalonate (62565-07-5)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 2042123/;

DOI:10.1248/cpb.24.3034

upstream raw materials:

diazomethane

dimethyl (E)-cinnamylidenemalonate

1-Chloro-4-phenylbutane

malonic acid dimethyl ester

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