5-Cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric acid

Base Information

• Chemical Name: 5-Cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric acid
• CAS No.: 36879-87-5
• Molecular Formula: C18H24 O5
• Molecular Weight: 320.386
• European Community (EC) Number: 253-251-5
• DSSTox Substance ID: DTXSID00958077
• Nikkaji Number: J23.652G
• Wikidata: Q82938581
• Mol file: 36879-87-5.mol

Synonyms:beta-(2,4-dimethoxy-5-cyclohexylbenzoyl)propionic acid;SC 2644;SC-2644

Chemical Property of 5-Cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric acid

Chemical Property:

• Boiling Point: 528.8°Cat760mmHg
• Flash Point: 189.8°C
• PSA: 72.83000
• Density: 1.153g/cm³
• LogP: 3.79900
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 320.16237386
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C2CCCCC2)C(=O)CCC(=O)O)OC

Technology Process of 5-Cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric acid

There total 1 articles about 5-Cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric 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:

succinic acid monomethylester chloride (1490-25-1) → 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butyric acid (36879-87-5)

Guidance literature:

With aluminium trichloride; benzene; anschliessendes Behandeln mit methanol. NaOH;

DOI:10.1021/ja01106a015

Reference yield:

4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butyric acid (36879-87-5) → 3-bromo-4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butyric acid

Guidance literature:

With bromine; acetic acid;

DOI:10.1021/ja01106a015

Reference yield:

4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butyric acid (36879-87-5) → 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-trans-crotonic acid

Guidance literature:

With bromine; acetic acid; anschliessendes Erhitzen mit Natriumacetat und Essigsaeure;

DOI:10.1021/ja01106a015

upstream raw materials:

succinic acid monomethylester chloride