4-Bromo-3-fluoro-4'-pentyl-biphenyl

Base Information

• Chemical Name: 4-Bromo-3-fluoro-4'-pentyl-biphenyl
• CAS No.: 163129-11-1
• Molecular Formula: C₁₇H₁₈BrF
• Molecular Weight: 321.232
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50445881
• Wikidata: Q82264426
• Mol file: 163129-11-1.mol

Synonyms:163129-11-1;4-Bromo-3-fluoro-4'-pentyl-biphenyl;1-bromo-2-fluoro-4-(4-pentylphenyl)benzene;4'-PENTYL-4-BROMO-3-FLUOROBIPHENYL;4/'/'-PENTYL-4-BROMO-3-FLUOROBIPHENYL;SCHEMBL7788862;DTXSID50445881;4-Bromo-3-fluoro-4'-pentyl-1,1'-biphenyl;4-Bromo-3-fluoro-4/'-pentyl-1,1/'-biphenyl

Chemical Property of 4-Bromo-3-fluoro-4'-pentyl-biphenyl

Chemical Property:

• PSA: 0.00000
• LogP: 5.98790
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 320.05759
• Heavy Atom Count: 19
• Complexity: 248

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)Br)F

Technology Process of 4-Bromo-3-fluoro-4'-pentyl-biphenyl

There total 2 articles about 4-Bromo-3-fluoro-4'-pentyl-biphenyl 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: 35.0%

2-fluro-4-iodoaniline (29632-74-4) + (4-pentylphenyl)boronic acid (121219-12-3) → 4-bromo-3-fluro-4'-pentylbiphenyl (163129-11-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; Heating;

Reference yield:

2-Fluoroaniline (348-54-9) → 4-bromo-3-fluro-4'-pentylbiphenyl (163129-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / I₂, NaHCO₃ / H₂O / 2 h / 60 - 80 °C

2: 35 percent / Pd(PPh₃)4, Na₂CO₃ / 1,2-dimethoxy-ethane / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; iodine; sodium hydrogencarbonate; sodium carbonate; In 1,2-dimethoxyethane; water;

upstream raw materials:

2-fluro-4-iodoaniline

(4-pentylphenyl)boronic acid

2-Fluoroaniline