4-Phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride

Base Information

• Chemical Name: 4-Phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride
• CAS No.: 208108-75-2
• Molecular Formula: C12H6ClF3OS
• Molecular Weight: 290.68900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20428247
• Wikidata: Q82241053
• Mol file: 208108-75-2.mol

Synonyms:208108-75-2;4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride;4-phenyl-5-(trifluoromethyl)-2-thiophenecarbonyl chloride;2-Thiophenecarbonyl chloride, 4-phenyl-5-(trifluoromethyl)-;SCHEMBL3054006;DTXSID20428247;MFCD06409222;FT-0738801;A814929;4-phenyl-5-(trifluoromethyl)thiophene-2-carbonylchloride

Chemical Property of 4-Phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 48oC
• Boiling Point: 161/0.5mm
• Flash Point: 156.6oC
• PSA: 45.31000
• Density: 1.424g/cm3
• LogP: 4.81290
• Sensitive.: Moisture Sensitive
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 289.9779982
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIOPHENECARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)Cl)C(F)(F)F

Technology Process of 4-Phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride

There total 3 articles about 4-Phenyl-5-(trifluoromethyl)thiophene-2-carbonyl chloride 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:

1,1,1-Trifluoro-3-phenylpropan-2-one (350-92-5) → 5-trifluoromethyl-4-phenyl-thiophene-2-carboxylic acid chloride (208108-75-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 82 percent / phosphorus oxychloride / 20 h / 70 °C

2.1: NaH / tetrahydrofuran / 25 °C

2.2: 78 percent / tetrahydrofuran / 20 h / 20 °C

3.1: 93 percent / aq. NaOH / ethanol / 0.5 h / 20 °C

4.1: oxalyl chloride; DMF / CH₂Cl₂ / 1 h / 20 °C

With sodium hydroxide; oxalyl dichloride; sodium hydride; N,N-dimethyl-formamide; trichlorophosphate; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm0492507

Reference yield:

3-chloro-4,4,4-trifluoro-2-phenyl-but-2-enal (119197-24-9,119197-25-0,146936-34-7) → 5-trifluoromethyl-4-phenyl-thiophene-2-carboxylic acid chloride (208108-75-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / tetrahydrofuran / 25 °C

1.2: 78 percent / tetrahydrofuran / 20 h / 20 °C

2.1: 93 percent / aq. NaOH / ethanol / 0.5 h / 20 °C

3.1: oxalyl chloride; DMF / CH₂Cl₂ / 1 h / 20 °C

With sodium hydroxide; oxalyl dichloride; sodium hydride; N,N-dimethyl-formamide; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm0492507

Reference yield:

ethyl 5-(trifluoromethyl)-4-phenylthiophene-2-carboxylate (167279-18-7) → 5-trifluoromethyl-4-phenyl-thiophene-2-carboxylic acid chloride (208108-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / aq. NaOH / ethanol / 0.5 h / 20 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 1 h / 20 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In ethanol; dichloromethane;

DOI:10.1021/jm0492507

upstream raw materials:

1,1,1-Trifluoro-3-phenylpropan-2-one

3-chloro-4,4,4-trifluoro-2-phenyl-but-2-enal

ethyl 5-(trifluoromethyl)-4-phenylthiophene-2-carboxylate

Downstream raw materials:

3-[(4-carbomethoxy)phenyl]-5-(4-phenyl-5-trifluoromethyl-2-thienyl)-1,2,4-oxadiazole

C₂₄H₂₅F₃N₂O₃SSi

2-((R)-1-((S)-2-hydroxy-2-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid

C₂₁H₁₆F₃NO₃S

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