Ethyl chlorodifluoroacetate

Base Information

• Chemical Name: Ethyl chlorodifluoroacetate
• CAS No.: 383-62-0
• Molecular Formula: C4H5ClF2O2
• Molecular Weight: 158.532
• Hs Code.: 29159000
• European Community (EC) Number: 206-850-0
• NSC Number: 62664
• DSSTox Substance ID: DTXSID7059935
• Nikkaji Number: J213.612K
• Wikidata: Q72473574
• Mol file: 383-62-0.mol

Synonyms:Ethyl chlorodifluoroacetate;383-62-0;ethyl 2-chloro-2,2-difluoroacetate;Chlorodifluoroacetic Acid Ethyl Ester;Ethyl chlorodifluoroethanoate;Acetic acid, chlorodifluoro-, ethyl ester;C4H5ClF2O2;EINECS 206-850-0;NSC 62664;Acetic acid, 2-chloro-2,2-difluoro-, ethyl ester;Ethyl 2-chloro-2,2-difluoroacetate;ETHYLCHLORODIFLUOROACETATE;ethyl 2-chloro-2,2-difluoro-acetate;ethyl chlordifluoroacetate;ethyl chloro(difluoro)acetate;SCHEMBL21023;ethyl chloro-(difluoro)acetate;C4-H5-Cl-F2-O2;DTXSID7059935;GVCAWQUJCHZRCB-UHFFFAOYSA-;AMY3630;Ethyl chlorodifluoroacetate, 98%;BCP24418;NSC62664;MFCD00013662;NSC-62664;AKOS005063976;Chloro-difluoro-acetic acid ethyl ester;FT-0623643;EN300-20168;D78208;Acetic acid,2-chloro-2,2-difluoro-, ethyl ester;Q-102551

Chemical Property of Ethyl chlorodifluoroacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Refractive Index: n20/D 1.358(lit.)
• Boiling Point: 93.8 °C at 760 mmHg
• Flash Point: 28.9 °C
• PSA: 26.30000
• Density: 1.316 g/cm³
• LogP: 1.38110
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 157.9946134
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Chlorodifluoroacetate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C; Xi
• Hazard Codes: F,C,Xi
• Statements: 11-34-20/21/22
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(F)(F)Cl
• Uses: Ethyl chlorodifluoroacetate (ECDFA) may be used as a starting reagent in the synthesis of 3-gem-difluoro-2-ethoxy allylic alcohols.

Technology Process of Ethyl chlorodifluoroacetate

There total 8 articles about Ethyl chlorodifluoroacetate 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: 78.5%

ethanol (64-17-5) + 2-chloro-2,2-difluoroacetic acid (76-04-0) → ethyl 2-chloro-2,2-difluoroacetate (383-62-0)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 20 - 33 ℃; for 38.5h; Heating / reflux;

Reference yield: 73.4%

→ ethyl 2-chloro-2,2-difluoroacetate (383-62-0)

Guidance literature:

Reference yield: 19.0%

ethanol (64-17-5) + sodium chlorodifluoroacetate (1895-39-2) → ethyl 2-chloro-2,2-difluoroacetate (383-62-0)

Guidance literature:

In N,N-dimethyl-formamide; at 150 ℃;

DOI:10.1016/S0022-1139(01)00465-1

upstream raw materials:

ethanol

2-chloro-2,2-difluoroacetic acid

1.1.2.2-Tetrafluor-2-chlor-aethylnitrit

1,2-dichloro-1,1,2-trifluoro-2-nitrosooxy-ethane

Downstream raw materials:

1-phenyl-3-trifluoromethyl prop-1-ene

1-bromo-4-(2,2,2-trifluoroethyl)benzene

((Z)-3-Chloro-2-ethoxy-3,3-difluoro-propenyl)-benzene

(S)-(-)-1-chloro-1,1-difluoro-3-<(4-methylphenyl)sulphinyl>propan-2-one

Refernces

• 1、 Bhadury, Pinaki S.,Palit, Meehir,Sharma, Mamta,Raza, Syed K.,Jaiswal, Devendra K.. "Synthesis, characterisation and mass spectrometric fragmentation of O-(chlorodifluoroacylated) alcohols". . p. 47 - 50. Retrieved 2007/10/03.
• 2、 -. "Process for producing carboxylic acid esters from carboxylic acid halides and alcohols". . . Retrieved 2008/06/13.