2-Fluoroacryloyl chloride

Base Information

• Chemical Name: 2-Fluoroacryloyl chloride
• CAS No.: 16522-55-7
• Molecular Formula: C3H2ClFO
• Molecular Weight: 108.5
• Hs Code.: 2916190090
• European Community (EC) Number: 813-512-1
• DSSTox Substance ID: DTXSID90382589
• Nikkaji Number: J1.198.310C
• Wikidata: Q82173949
• Mol file: 16522-55-7.mol

Synonyms:2-Fluoroacryloyl chloride;16522-55-7;2-fluoroprop-2-enoyl Chloride;2-fluoro-2-propenoyl chloride;alpha-fluoroacryloyl chloride;2-Propenoyl chloride, 2-fluoro-;MFCD06247510;2-fluoroacrylic acid chloride;SCHEMBL690723;DTXSID90382589;JBKRPXAZWRLPSW-UHFFFAOYSA-N;AKOS006228629;SY039966;SY319357;FT-0691681;(3-Amino-phenyl)-carbamic acidTert-butyl ester;F86764;A810629;2-Fluoroacryloyl Chloride, Solution 50wt.% in DCM

Chemical Property of 2-Fluoroacryloyl chloride

Chemical Property:

• Vapor Pressure: 80.7mmHg at 25°C
• Refractive Index: 1.389
• Boiling Point: 81.8 °C at 760 mmHg
• Flash Point: 3.3 °C
• PSA: 17.07000
• Density: 1.248 g/cm³
• LogP: 1.23500
• Storage Temp.: Keep Cold
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.9778205
• Heavy Atom Count: 6
• Complexity: 88.8

Purity/Quality:

98%Min ^*data from raw suppliers

2-FLUOROACRYLOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C(=O)Cl)F

Technology Process of 2-Fluoroacryloyl chloride

There total 7 articles about 2-Fluoroacryloyl 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: 90.0%

α-fluoro-β-chloropropanoyl chloride (112753-66-9) → α-fluoroacryloyl chloride (16522-55-7)

Guidance literature:

With 2,3-Dimethylaniline; p-benzoquinone; at 170 ℃;

Reference yield: 47.0%

2-fluoroprop-2-enoyloxysodium (74893-46-2) → α-fluoroacryloyl chloride (16522-55-7)

Guidance literature:

With benzoyl chloride; hydroquinone; at 160 ℃;

Reference yield:

2-fluoroacrylic acid (430-99-9) → α-fluoroacryloyl chloride (16522-55-7)

Guidance literature:

With thionyl chloride; In toluene; for 3h; Heating;

DOI:10.1021/jm031051k

upstream raw materials:

2-fluoroprop-2-enoyloxysodium

α-fluoro-β-chloropropanoyl chloride

2-fluoroacrylic acid

α,β-Difluoropropionyl chloride

Downstream raw materials:

ethyl 2-fluoroacrylate

1,1,1,3,3,3-hexafluoroisopropyl-2-fluoroacrylate

Refernces

• 1、 Zhao, Bingbing,Xiao, Zhen,Qi, Jianguo,Luo, Rong,Lan, Zhou,Zhang, Yanzhuo,Hu, Xiaohan,Tang, Qidong,Zheng, Pengwu,Xu, Shan,Zhu, Wufu. "Design, synthesis and biological evaluation of AZD9291 derivatives as selective and potent EGFRL858R/T790M inhibitors". . p. 367 - 380. Retrieved 2018/12/13.
• 2、 Li, Yang,Li, Kai,Wu, Yue,Ma, Qiaoning,Lei, Xinsheng. "Facile synthesis of fluorovinyl-containing lactams via ring-closing metathesis of N-substituted 2-fluoroallylamides". . p. 4845 - 4853. Retrieved 2016/07/18.