2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene

Base Information

• Chemical Name: 2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene
• CAS No.: 869540-85-2
• Molecular Formula: C₁₁H₆BrF₃S
• Molecular Weight: 307.134
• DSSTox Substance ID: DTXSID60702992
• Nikkaji Number: J2.245.766G
• Wikidata: Q82635040

Synonyms:2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene;869540-85-2;2-bromo-5-[4-(trifluoromethyl)phenyl]thiophene;SCHEMBL8521914;DTXSID60702992;RBPSGQNWORRZMH-UHFFFAOYSA-N;2-Bromo-5-(4-trifluoromethyl-phenyl)-thiophene

Chemical Property of 2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene

Chemical Property:

• Melting Point: 94-95 °C
• Boiling Point: 286.0±35.0 °C(Predicted)
• Density: 1.584±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 305.93257
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(S2)Br)C(F)(F)F

Technology Process of 2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene

There total 3 articles about 2-Bromo-5-(4-(trifluoromethyl)phenyl)thiophene 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: 91.0%

2-bromothiophene (1003-09-4) + 4-Iodobenzotrifluoride (455-13-0) → 2-bromo-5-(4-trifluoromethyl-phenyl)-thiophene (869540-85-2)

Guidance literature:

2-bromothiophene; With lithium chlorozincate; lithium dicyclohexylamide; In tetrahydrofuran; at 0 ℃; for 0.0111111h; Flow reactor;

4-Iodobenzotrifluoride; With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 2h; Flow reactor;

DOI:10.1039/c5sc02558c

Reference yield: 31.0%

(4-(trifluoromethyl)phenyl)zinc(II) bromide (198345-82-3) + 2,5-dibromothiophen (3141-27-3) → 2-bromo-5-(4-trifluoromethyl-phenyl)-thiophene (869540-85-2) + 2,5-bis(4-trifluoromethylphenyl)thiophene (945588-33-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 0.5h; regioselective reaction; Inert atmosphere;

DOI:10.5012/bkcs.2014.35.10.3081

Reference yield:

2,5-dibromothiophen (3141-27-3) + (4-(trifluoromethyl)phenyl)zinc(II) iodide (718628-25-2) → 2-bromo-5-(4-trifluoromethyl-phenyl)-thiophene (869540-85-2) + 4,4'-bis(trifluoromethyl)biphenyl (581-80-6) + 2,5-bis(4-trifluoromethylphenyl)thiophene (945588-33-0)

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 0.5h; regioselective reaction; Inert atmosphere;

DOI:10.5012/bkcs.2014.35.10.3081

upstream raw materials:

2-bromothiophene

4-Iodobenzotrifluoride

2,5-dibromothiophen

(4-(trifluoromethyl)phenyl)zinc(II) iodide

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