3-[2-(Trifluoromethyl)phenyl]prop-2-enoyl chloride

Base Information

• Chemical Name: 3-[2-(Trifluoromethyl)phenyl]prop-2-enoyl chloride
• CAS No.: 209619-25-0
• Molecular Formula: C10H6 Cl F3 O
• Molecular Weight: 234.605
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10694237
• Mol file: 209619-25-0.mol

Synonyms:3-[2-(trifluoromethyl)phenyl]prop-2-enoyl chloride;DTXSID10694237;2-(trifluoro-methyl)cinnamoyl chloride

Chemical Property of 3-[2-(Trifluoromethyl)phenyl]prop-2-enoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.48400
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.0059270
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

98%min ^*data from raw suppliers

SG000416:3-(2-Trifluoromethyl-phenyl)-acryloylchloride 98 ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[2-(Trifluoromethyl)phenyl]prop-2-enoyl chloride

There total 2 articles about 3-[2-(Trifluoromethyl)phenyl]prop-2-enoyl 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:

2-trifluoromethylcinnamic acid → C10H6ClF3O (209619-25-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; toluene; at 20 - 90 ℃;

Reference yield:

2-Trifluoromethylbenzaldehyde (447-61-0) → C10H6ClF3O (209619-25-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; piperidine / 3 h / Reflux

2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 24 h / 20 °C

With piperidine; pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.bioorg.2021.105465

Reference yield: 54.0%

caprolactam (105-60-2,9012-16-2) + C10H6ClF3O (209619-25-0) → (E)-1-(3-(2-trifluoromethylphenyl)acryloyl)azepan-2-one

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.bioorg.2021.105465

upstream raw materials:

2-Trifluoromethylbenzaldehyde

Downstream raw materials:

N-(2,3-dimethyl-7-{(2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl}imidazo[1,2-a]pyridin-8-yl)-2,2-dimethylpropanamide

(S)-4-isopropyl-5,5-diphenyl-3-[(E)-3-(2-trifluoromethylphenyl)-acryloyl]-oxazolidin-2-one

ethyl 2-trifluoromethylcinnamate