3-(2-Fluorophenyl)prop-2-enoyl chloride

Base Information

• Chemical Name: 3-(2-Fluorophenyl)prop-2-enoyl chloride
• CAS No.: 120681-05-2
• Molecular Formula: C9H6ClFO
• Molecular Weight: 184.597
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20374639
• Mol file: 120681-05-2.mol

Synonyms:3-(2-fluorophenyl)prop-2-enoyl chloride;DTXSID20374639;FT-0774243

Chemical Property of 3-(2-Fluorophenyl)prop-2-enoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.60430
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0091207
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

(2E)-3-(2-Fluorophenyl)acryloylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Fluorophenyl)prop-2-enoyl chloride

There total 7 articles about 3-(2-Fluorophenyl)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: 100.0%

2-fluorocinnamic acid (18944-77-9) → (E)-3-(2-fluorophenyl)-2-propenoyl chloride (120681-05-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 4h; Reflux;

DOI:10.3390/molecules21010049

Reference yield: 100.0%

2-fluorocinnamic acid (451-69-4) → (E)-3-(2-fluorophenyl)-2-propenoyl chloride (120681-05-2)

Guidance literature:

With thionyl chloride; for 2h; Temperature; Reagent/catalyst; Reflux;

Reference yield:

2-fluorocinnamic acid (451-69-4) → o-Fluorocinnamoylchlorid (120681-05-2)

Guidance literature:

With thionyl chloride;

DOI:10.1271/bbb.65.161

upstream raw materials:

2-fluorocinnamic acid

2-Fluorobenzaldehyde

2-fluorocinnamic acid

(E)-3-(2-fluorophenyl)acrylaldehyde

Downstream raw materials:

(E)-3-(2-fluoropheny)-N-[4-methyl-3-(4-pyridin-3-ylpyrimidin-2-ylamino)phenyl]acrylamide