2-(Trifluoromethyl)dioxolane

Base Information

• Chemical Name: 2-(Trifluoromethyl)dioxolane
• CAS No.: 2344-09-4
• Molecular Formula: C₄H₅F₃O₂
• Molecular Weight: 142.078
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80394575
• Wikidata: Q82194040
• Mol file: 2344-09-4.mol

Synonyms:2-(Trifluoromethyl)dioxolane;2-(trifluoromethyl)-1,3-dioxolane;2344-09-4;4-Chlorobenzylmethylsulfide;SCHEMBL3315130;2-trifluoromethyl-1,3-dioxolane;DTXSID80394575;MFCD04038366;AKOS006228802;CS-0450193;FT-0676920

Chemical Property of 2-(Trifluoromethyl)dioxolane

Chemical Property:

• Vapor Pressure: 10.2mmHg at 25°C
• Refractive Index: 1.354
• Boiling Point: 73.4°Cat760mmHg
• Flash Point: 3.3°C
• PSA: 18.46000
• Density: 1.367g/cm³
• LogP: 0.92160
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 142.02416388
• Heavy Atom Count: 9
• Complexity: 94.5

Purity/Quality:

98% ^*data from raw suppliers

2-(Trifluoromethyl)dioxolane 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)dioxolane

There total 3 articles about 2-(Trifluoromethyl)dioxolane 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: 67.0%

2,2,2-Trifluoroacetaldehyde (75-90-1) + 2-chloro-ethanol (107-07-3) → 2-trifluoromethyl-1,3-dioxolane (2344-09-4)

Guidance literature:

2,2,2-Trifluoroacetaldehyde; 2-chloro-ethanol; In pentane; at -78 - 20 ℃;

With potassium carbonate; In pentane; at 20 ℃; for 20h;

DOI:10.1021/ja030077y

Reference yield: 30.0%

2-chloroethyl trifluoroacetate (40949-99-3) → 2-trifluoromethyl-1,3-dioxolane (2344-09-4)

Guidance literature:

With NaH; In dimethyl sulfoxide; mineral oil;

Reference yield:

→ 2-trifluoromethyl-1,3-dioxolane (2344-09-4)

Guidance literature:

aus Trifluoracetaldehyd, 2-Chloraethanol, n-Pentan 1) Na2cO3 2) H2O, reflux;

DOI:10.1016/S0022-1139(00)82169-7

upstream raw materials:

2,2,2-Trifluoroacetaldehyde

2-chloro-ethanol

2-chloroethyl trifluoroacetate

Refernces

• 1、 He, Yigang,Junk, Christopher P.,Cawley, John J.,Lemal, David M.. "A remarkable [2.2.2] propellane". . p. 5590 - 5591. Retrieved 2007/10/03.