Bucloxic acid

Base Information

• Chemical Name: Bucloxic acid
• CAS No.: 32808-51-8
• Molecular Formula: C16H19 Cl O3
• Molecular Weight: 294.778
• Hs Code.: 2918300090
• European Community (EC) Number: 251-231-0
• UNII: KV89R7ELF8
• DSSTox Substance ID: DTXSID5022695
• Nikkaji Number: J19.760B
• Wikidata: Q27282456
• NCI Thesaurus Code: C72087
• ChEMBL ID: CHEMBL1697824
• Mol file: 32808-51-8.mol

Synonyms:4-(3-chloro-4-cyclohexylphenyl)-4-oxobutyric acid;804 CB;804-CB;bucloxal;bucloxic acid;bucloxic acid, calcium salt;bucloxic acid, sodium salt;Esfar

Chemical Property of Bucloxic acid

Chemical Property:

• Vapor Pressure: 4.22E-10mmHg at 25°C
• Melting Point: 163°
• Refractive Index: 1.4585 (estimate)
• Boiling Point: 482°Cat760mmHg
• PKA: 4.43±0.17(Predicted)
• Flash Point: 245.3°C
• PSA: 54.37000
• Density: 1.219g/cm³
• LogP: 4.43520
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 294.1022722
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

BUCLOXIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)O)Cl
• Therapeutic Function: Antiinflammatory

Technology Process of Bucloxic acid

There total 2 articles about Bucloxic 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:

3-Chloro-4-cyclohexylbenzoesaeure<14C>chlorid + 1,1,2-Ethantricarbonsaeuretrimethylsilylester (35643-99-3) → bucloxic acid (32808-51-8)

Guidance literature:

Multistep reaction;

DOI:10.1002/jlcr.2580120402

Reference yield:

→ bucloxic acid (32808-51-8)

Guidance literature:

4-(4-Cyclohexylphenyl)-4-oxo-buttersaeure 1, Aluminiumchlorid, Chlor;

Reference yield:

bucloxic acid (32808-51-8) → 4-(3-Chloro-4-cyclohexylphenyl)-4-hydroxybutyric acid (32808-57-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; sodium; In tetrahydrofuran; methanol; water;

upstream raw materials:

1,1,2-Ethantricarbonsaeuretrimethylsilylester

Downstream raw materials:

4-(3-Chloro-4-cyclohexylphenyl)-4-hydroxybutyric acid

Refernces