[5-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic acid

Base Information

• Chemical Name: [5-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic acid
• CAS No.: 42349-21-3
• Molecular Formula: C₁₇H₁₈O₃
• Molecular Weight: 270.328
• NSC Number: 118823
• DSSTox Substance ID: DTXSID90297881
• Wikidata: Q82039373
• Mol file: 42349-21-3.mol

Synonyms:42349-21-3;[5-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic acid;NSC118823;DTXSID90297881;NSC-118823

Chemical Property of [5-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic acid

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Boiling Point: 445.1°C at 760 mmHg
• Flash Point: 237.1°C
• Density: 1.241g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC(=C2)C3=C(C(=O)CC3)CC(=O)O

Technology Process of [5-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic acid

There total 3 articles about [5-Oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopent-1-en-1-yl]acetic 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:

4,7-dioxo-7-(5,6,7,8-tetrahydro-[2]naphthyl)-heptanoic acid (42349-20-2) → [5-oxo-2-(5,6,7,8-tetrahydro-[2]naphthyl)-cyclopent-1-enyl]-acetic acid (42349-21-3)

Guidance literature:

DOI:10.1021/ja01101a520

Reference yield:

4-oxo-4-(5,6,7,8-tetrahydro-[2]naphthyl)-butyric acid methyl ester (854678-24-3) + Dimethyl succinate (106-65-0) → [5-oxo-2-(5,6,7,8-tetrahydro-[2]naphthyl)-cyclopent-1-enyl]-acetic acid (42349-21-3)

Guidance literature:

DOI:10.1021/ja01101a520

Reference yield:

→ [5-oxo-2-(5,6,7,8-tetrahydro-[2]naphthyl)-cyclopent-1-enyl]-acetic acid (42349-21-3)

Guidance literature:

Diketoheptansaeure IV, KOH;

upstream raw materials:

4,7-dioxo-7-(5,6,7,8-tetrahydro-[2]naphthyl)-heptanoic acid

4-oxo-4-(5,6,7,8-tetrahydro-[2]naphthyl)-butyric acid methyl ester

Dimethyl succinate