Fencibutirol

Base Information

• Chemical Name: Fencibutirol
• CAS No.: 5977-10-6
• Molecular Formula: C25H21BrN4O2
• Molecular Weight: 262.349
• European Community (EC) Number: 227-773-9
• UNII: H2V165956A
• DSSTox Substance ID: DTXSID10863668
• Nikkaji Number: J8.320H
• Wikidata: Q27279570
• NCI Thesaurus Code: C65641
• ChEMBL ID: CHEMBL2104299
• Mol file: 5977-10-6.mol

Synonyms:fencibutirol;fencibutirol sodium salt

Chemical Property of Fencibutirol

Chemical Property:

• Vapor Pressure: 1.75E-08mmHg at 25°C
• Melting Point: 157°
• Boiling Point: 439°C at 760 mmHg
• Flash Point: 233.4°C
• PSA: 57.53000
• Density: 1.144g/cm³
• LogP: 3.18610
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.15689456
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

FENCIBUTIROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)C1(CCC(CC1)C2=CC=CC=C2)O

Technology Process of Fencibutirol

There total 2 articles about Fencibutirol 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:

1-phenyl-4-cyclohexanone (4894-75-1) + 2-bromobutyric acid ethyl ester (533-68-6) → Biligen (5977-10-6)

Guidance literature:

With zinc; anschliessendes Hydrolysieren;

DOI:10.1007/BF02158073

Reference yield:

→ Biligen (5977-10-6)

Guidance literature:

entspr.Ester, NaOH, Δ;

Reference yield:

Biligen (5977-10-6) → acido α-<1-idrossi-4-(4-idrossifenil)cicloesil>butirrico (82205-94-5)

Guidance literature:

for 192h; fermentation with Aspergillus Wentii;

upstream raw materials:

1-phenyl-4-cyclohexanone

2-bromobutyric acid ethyl ester

Downstream raw materials:

acido α-<1-idrossi-4-(4-idrossifenil)cicloesil>butirrico