1-Chloro-2-(trifluoromethoxy)ethane

Base Information

• Chemical Name: 1-Chloro-2-(trifluoromethoxy)ethane
• CAS No.: 1645-95-0
• Molecular Formula: C₃H₄ClF₃O
• Molecular Weight: 148.512
• DSSTox Substance ID: DTXSID101292691
• Mol file: 1645-95-0.mol

Synonyms:1-Chloro-2-(trifluoromethoxy)ethane;1645-95-0;MFCD13186655;SCHEMBL4703422;PRPSNEJCBNKDII-UHFFFAOYSA-N;DTXSID101292691;AKOS006383255;MS-20384

Chemical Property of 1-Chloro-2-(trifluoromethoxy)ethane

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 147.9902769
• Heavy Atom Count: 8
• Complexity: 62

Purity/Quality:

1-Chloro-2-(trifluoromethoxy)ethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCl)OC(F)(F)F
• Uses: 1-Chloro-2-(trifluoromethoxy)ethane (cas# 1645-95-0) is used as a reactant in the preparation of heteroarylacryloylaminoalkyl benzenesulfonamides as cardiovascular agents.

Technology Process of 1-Chloro-2-(trifluoromethoxy)ethane

There total 3 articles about 1-Chloro-2-(trifluoromethoxy)ethane 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: 33.0%

oxalyl difluoride (359-40-0) + 2-chloroethyl mesylate (3570-58-9) → 1-chloro-2-(trifluoromethoxy)ethane (1645-95-0)

Guidance literature:

With potassium fluoride; In diethylene glycol dimethyl ether; 1.) 24 h, 140 deg C; 2.) 80 to 160 deg C;

DOI:10.1016/S0022-1139(00)81237-3

Reference yield:

ethene (74-85-1) + trifluoromethyl hypochlorite (22082-78-6) → 1-chloro-2-(trifluoromethoxy)ethane (1645-95-0)

Guidance literature:

DOI:10.1021/jo00836a032

Reference yield:

Carbonyl fluoride (353-50-4) + 2-chloro-ethanol (107-07-3) → 1-chloro-2-(trifluoromethoxy)ethane (1645-95-0)

Guidance literature:

Multistep reaction; (i), (ii) SF₄;

DOI:10.1021/jo01024a002

upstream raw materials:

ethene

trifluoromethyl hypochlorite

Carbonyl fluoride

2-chloro-ethanol

Refernces

• 1、 Siegemund, Guenter,Schwertfeger, Werner. "CYCLISIERUNGEN UNTER BETEILIGUNG VON FLUORIDIONEN, 3. MITTEIL. TEILFLUORIERTE 1.3- UND 1.4-DIOXANE". . p. 133 - 144. Retrieved 2007/10/02.