Chaulmoogric acid ethyl ester

Base Information

• Chemical Name: Chaulmoogric acid ethyl ester
• CAS No.: 623-32-5
• Molecular Formula: C20H36 O2
• Molecular Weight: 308.505
• European Community (EC) Number: 210-786-9
• NSC Number: 38010
• ChEMBL ID: CHEMBL1329881
• Mol file: 623-32-5.mol

Synonyms:Chaulmoogric acid, ethyl ester;Chaulmoogric acid ethyl ester;ethyl 13-cyclopent-2-en-1-yltridecanoate;623-32-5;EINECS 210-786-9;NSC38010;Ethy6l chaulmoograte;2-Cyclopentene-1-tridecanoic acid, ethyl ester;Ethyl 2-cyclopentene-1-tridecanoate;NSC 38010;Ethyl 13-(cyclopent-2-enyl)tridecanoate;NSC-38010;Spectrum_001411;Spectrum2_000511;Spectrum3_001357;Spectrum4_000118;Spectrum5_000724;BSPBio_003173;KBioGR_000476;KBioSS_001891;SPECTRUM310017;DivK1c_000627;SPBio_000461;CHEMBL1329881;HMS501P09;KBio1_000627;KBio2_001891;KBio2_004459;KBio2_007027;KBio3_002393;NINDS_000627;CCG-39563;IDI1_000627;NCGC00095864-01;NCGC00095864-02;LS-58339

Chemical Property of Chaulmoogric acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.67E-06mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 185 °C(lit.)
• Flash Point: 144 °F
• PSA: 26.30000
• Density: 0.928 g/mL at 25 °C(lit.)
• LogP: 6.19690
• Storage Temp.: 0-6°C
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 308.271530387
• Heavy Atom Count: 22
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCCCC1CCC=C1

Technology Process of Chaulmoogric acid ethyl ester

There total 2 articles about Chaulmoogric acid ethyl 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:

chaulmoogric acid (1017254-68-0) → ethyl chaulmoograte (623-32-5)

Guidance literature:

With ethanol; sulfuric acid; toluene; unter Abdestillieren des azeotropen Aethanol-Wasser-Toluol-Gemisches;

DOI:10.1007/s004250100601

Reference yield:

ethanol (64-17-5) + 13-cyclopent-2-enyl-tridecanoic acid (502-30-7) → ethyl chaulmoograte (623-32-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

ethyl chaulmoograte (623-32-5) → 13-cyclopent-2-en-1-yltridecan-1-ol (5611-61-0,29106-33-0)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

ethanol

13-cyclopent-2-enyl-tridecanoic acid

chaulmoogric acid

Downstream raw materials:

13-cyclopent-2-en-1-yltridecan-1-ol