1,1,1-Trifluoro-2-propanol

Base Information

• Chemical Name: 1,1,1-Trifluoro-2-propanol
• CAS No.: 374-01-6
• Deprecated CAS: 17556-48-8
• Molecular Formula: C3H5F3O
• Molecular Weight: 114.067
• Hs Code.: 29055900
• European Community (EC) Number: 206-773-2
• NSC Number: 3637
• DSSTox Substance ID: DTXSID20870520
• Nikkaji Number: J213.569H
• Mol file: 374-01-6.mol

Synonyms:1,1,1-trifluoro-2-propanol

Chemical Property of 1,1,1-Trifluoro-2-propanol

Chemical Property:

• Vapor Pressure: 109mmHg at 25°C
• Melting Point: -52 °C
• Refractive Index: n20/D 1.316(lit.)
• Boiling Point: 67 °C at 760 mmHg
• PKA: 12.53±0.20(Predicted)
• Flash Point: 38.8 °C
• PSA: 20.23000
• Density: 1.235 g/cm³
• LogP: 0.92950
• Water Solubility.: Fully miscible in water.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 114.02924926
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

98% ^*data from raw suppliers

1,1,1-Trifluoropropan-2-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-33-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: CC(C(F)(F)F)O
• Uses: 1,1,1-Trifluoro-2-propanol is used as a chemical building block.

Technology Process of 1,1,1-Trifluoro-2-propanol

There total 33 articles about 1,1,1-Trifluoro-2-propanol 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: 99.0%

1,1,1-trifluoro-2-propanone (421-50-1) → 1,1,1-trifluoroisopropanol (374-01-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 2h;

Reference yield: 95.0%

trifluoroisopropyl fluorosulfite (344324-54-5) → 1,1,1-trifluoroisopropanol (374-01-6)

Guidance literature:

With water; at 100 ℃; for 10h; autoclave;

Reference yield: 82.0%

2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3) → 1,1,1-trifluoroisopropanol (374-01-6) + 1,1,1-trifluoro-2-propanone (421-50-1) + acetophenone (98-86-2)

Guidance literature:

With Togni's reagent; C₁₄H₁₆Br₂NO₅V; In acetone; at 50 ℃; for 96h;

upstream raw materials:

1,1,1-trifluoro-2,3-epoxypropane

methyl magnesium iodide

trifluoroacetic acid-methyl ester

ethyl trifluoroacetate,

Downstream raw materials:

2-[4-(5-{3-methyl-4-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl]acetamide

p-(1,1,1-Trifluoroisopropoxy)benzonitrile

N-tert-butyl-2-(2,2,2-trifluoro-1-methylethoxy)benzenesulfonamide

(S)-1,1,1-trifluoro-2-propanol

Refernces

• 1、 Drabicky et al.. "". . p. 1472. Retrieved 1976.
• 2、 Gilman,Jones. "-". . p. 1281. Retrieved 1948.
• 3、 -. "METHOD FOR OXIDATIVE CLEAVAGE OF COMPOUNDS WITH UNSATURATED DOUBLE BOND". Paragraph 0071; 0076. . Retrieved 2021/07/10.
• 4、 -. "ION CHANNEL MODULATORS". Page/Page column 38. . Retrieved 2021/06/04.