1,1,1-TRIFLUORO-2-BUTANONE

Base Information

• Chemical Name: 1,1,1-TRIFLUORO-2-BUTANONE
• CAS No.: 381-88-4
• Molecular Formula: C4H5F3O
• Molecular Weight: 126.078
• Hs Code.: 29147000
• Mol file: 381-88-4.mol

Synonyms:1,1,1-Trifluoro-2-butanone;Ethyl trifluoromethyl ketone;NSC 42602;1,1,1-Trifluorobutan-2-one;

Chemical Property of 1,1,1-TRIFLUORO-2-BUTANONE

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Refractive Index: n20/D 1.322(lit.)
• Boiling Point: 45.442 °C at 760 mmHg
• Flash Point: -8.797 °C
• PSA: 17.07000
• Density: 1.167 g/cm³
• LogP: 1.52780
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Trifluoro-2-butanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11
• Safety Statements: 9-16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 1,1,1-Trifluoro-2-butanone may be used in the synthesis of 5α,6β-dibromo-25-hydroxycholestan-3β-yl acetate. It may also be used for the in situ generation of ethyl(trifluoromethyl)dioxirane (ETDO).

Technology Process of 1,1,1-TRIFLUORO-2-BUTANONE

There total 4 articles about 1,1,1-TRIFLUORO-2-BUTANONE 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: 29.0%

ethane (74-84-0) + 2,2,2-Trifluoroacetaldehyde (75-90-1) → Nitroethane (79-24-3) + 1,1,1-trifluoro-2-butanone (381-88-4)

Guidance literature:

With ammonium nitrate; potassium chloride; at 180 ℃; for 2h; under 15514.9 Torr; Sealed tube;

Reference yield:

ethane (74-84-0) + trifluoroacetic anhydride (407-25-0) → 1,1,1-trifluoro-2-butanone (381-88-4) + ethyl trifluoroacetate, (383-63-1) + propionic acid (802294-64-0,79-09-4) + C5H5F3O3 (68267-65-2)

Guidance literature:

With tetraethyllead(IV); at 90 ℃; for 24h; under 51714.8 Torr; Further byproducts given;

DOI:10.1021/ja964068j

Reference yield:

ethyl trifluoroacetate, (383-63-1) + 1-phenyl-propan-1-one (93-55-0) → 1,1,1-trifluoro-2-butanone (381-88-4) + benzoic acid ethyl ester (93-89-0,99341-95-4)

Guidance literature:

ethyl trifluoroacetate,; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere; Schlenk technique;

1-phenyl-propan-1-one; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere; Schlenk technique; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tet.2014.05.017

upstream raw materials:

ethane

trifluoroacetic anhydride

ethyl trifluoroacetate,

1-phenyl-propan-1-one

Downstream raw materials:

1,1,1-trifluoro-2,3-butanedione

3,3-dibromo-1,1,1-trifluoro-2-butanone

3-bromo-1,1,1-trifluoro-2-butanone

2-(tert-butylcarbamoyl)-1,1,1-trifluorobut-2-yl benzoate

Refernces

• 1、 Zhou, Yuhan,Yang, Dongmei,Luo, Gen,Zhao, Yilong,Luo, Yi,Xue, Na,Qu, Jingping. "Highly selective trifluoroacetic ester/ketone metathesis: An efficient approach to trifluoromethyl ketones and esters". . p. 4668 - 4674. Retrieved 2014/06/23.