2,3,3-Trichloroacryloyl chloride

Base Information

• Chemical Name: 2,3,3-Trichloroacryloyl chloride
• CAS No.: 815-58-7
• Molecular Formula: C3Cl4O
• Molecular Weight: 193.844
• Hs Code.: 2916190090
• European Community (EC) Number: 212-421-9
• UNII: Q6E4V3JJ8M
• DSSTox Substance ID: DTXSID6061155
• Nikkaji Number: J33.778A
• Mol file: 815-58-7.mol

Synonyms:trichloroacryloyl chloride

Chemical Property of 2,3,3-Trichloroacryloyl chloride

Chemical Property:

• Vapor Pressure: 2.68mmHg at 25°C
• Refractive Index: 1.5271
• Boiling Point: 152.2°Cat760mmHg
• Flash Point: 32.8°C
• PSA: 17.07000
• Density: 0.816g/cm³
• LogP: 2.63730
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 193.867375
• Heavy Atom Count: 8
• Complexity: 134

Purity/Quality:

99%min ^*data from raw suppliers

2,3,3-Trichloroacryloylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(=C(Cl)Cl)(C(=O)Cl)Cl

Technology Process of 2,3,3-Trichloroacryloyl chloride

There total 10 articles about 2,3,3-Trichloroacryloyl 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: 85.0%

perchloropropene (1888-71-7) → 2,3,3-trichloroacryloyl chloride (815-58-7)

Guidance literature:

With aluminium trichloride; sulfur dioxide; at 90 ℃; for 48h;

DOI:10.1021/jo00010a027

Reference yield:

Hexachlorobutadiene (87-68-3) → tetrachloromethane (56-23-5) + phosgene (75-44-5) + 1,1,2,2-tetrachloroethylene (127-18-4) + 2,3,3-trichloroacryloyl chloride (815-58-7)

Guidance literature:

With air; at 700 ℃; for 0.000555556h; under 760 Torr; Further Variations:; Temperatures; Kinetics;

DOI:10.1016/0045-6535(96)00038-0

Reference yield:

2,3,3-trichloroacrylic acid (2257-35-4) → 2,3,3-trichloroacryloyl chloride (815-58-7)

Guidance literature:

With thionyl chloride;

upstream raw materials:

2,3,3-trichloroacrylic acid

perchloropropene

trichloro-acrylaldehyde

1,1,2,3,3-pentachloro-3-fluoropropene

Downstream raw materials:

2,3,3-trichloro-2-propen-1-ol

1-(4-chlorophenyl)-2,3,3-trichloro-1-oxopropene

2,3,3-trichloro-1-phenylprop-2-en-1-one

Trichloracrylsaeure-<2,6-dichlor-4-nitro-phenylester>

Refernces

• 1、 Zhang, Sicheng,Romero, Luis O.,Deng, Shanshan,Wang, Jiaxing,Li, Yong,Yang, Lei,Hamilton, David J.,Miller, Duane D.,Liao, Francesca-Fang,Cordero-Morales, Julio F.,Wu, Zhongzhi,Li, Wei. "Discovery of a Highly Selective and Potent TRPC3 Inhibitor with High Metabolic Stability and Low Toxicity". supporting information. p. 572 - 578. Retrieved 2021/04/07.
• 2、 Hagimori, Masayori,Murakami, Takahiro,Shimizu, Kinue,Nishida, Motohiro,Ohshima, Takashi,Mukai, Takahiro. "Synthesis of radioiodinated probes to evaluate the biodistribution of a potent TRPC3 inhibitor". supporting information. p. 1003 - 1006. Retrieved 2016/06/08.