3,3,3-Trifluoro-2-methylpropan-1-ol

Base Information

• Chemical Name: 3,3,3-Trifluoro-2-methylpropan-1-ol
• CAS No.: 431-23-2
• Molecular Formula: C4H7F3O
• Molecular Weight: 128.09300
• Hs Code.: 2905590090
• European Community (EC) Number: 862-125-4
• DSSTox Substance ID: DTXSID70436135
• Nikkaji Number: J3.230.989E
• Mol file: 431-23-2.mol

Synonyms:3,3,3-Trifluoro-2-methylpropan-1-ol;431-23-2;1-Propanol, 3,3,3-trifluoro-2-methyl-;MFCD20483912;3,3,3-trifluoro-2-methyl-1-propanol;2-trifluoromethyl-propanol;trifluoro-2-methylpropanol;SCHEMBL4424789;2-(Trifluoromethyl)-1-propanol;DTXSID70436135;ZB1021;AKOS016002547;CS-W021786;DS-2215;SY108715;EN300-107246;I10109;A852878

Chemical Property of 3,3,3-Trifluoro-2-methylpropan-1-ol

Chemical Property:

• Vapor Pressure: 17.289mmHg at 25°C
• Boiling Point: 104.047oC at 760 mmHg
• PKA: 14.24±0.10(Predicted)
• Flash Point: 54.35oC
• PSA: 20.23000
• Density: 1.177g/cm3
• LogP: 1.17710
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 128.04489933
• Heavy Atom Count: 8
• Complexity: 68.2

Purity/Quality:

98%min ^*data from raw suppliers

3,3,3-Trifluoro-2-methylpropan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CO)C(F)(F)F

Technology Process of 3,3,3-Trifluoro-2-methylpropan-1-ol

There total 4 articles about 3,3,3-Trifluoro-2-methylpropan-1-ol 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: 62.0%

iodotrifluoromethane (2314-97-8,263005-66-9) + 4-methyl-[1,3,2]dioxathiolane 2,2-dioxide (5689-83-8) → (S*)-3,3,3-trifluoro-2-methylpropan-1-ol (431-23-2) + 4,4,4-trifluoro-2-butanol (101054-93-7)

Guidance literature:

With Tetrakis(dimethylamino)ethylen; In tetrahydrofuran; at -20 - 20 ℃;

DOI:10.1021/ol0270374

Reference yield:

(2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5) → (S*)-3,3,3-trifluoro-2-methylpropan-1-ol (431-23-2)

Guidance literature:

With lithium aluminium tetrahydride;

Reference yield:

2-(trifluoromethyl)propionic acid methyl ester (339-17-3,121773-38-4) → (S*)-3,3,3-trifluoro-2-methylpropan-1-ol (431-23-2)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

2-(trifluoromethyl)propionic acid methyl ester

(2RS)-3,3,3-trifluoro-2-methylpropanoic acid

3,3,3-trifluoro-2-methylpropan-1-amine hydrochloride

iodotrifluoromethane

Refernces

• 1、 -. "Process for trifluoromethylation of sulfates". Page/Page column 3; Sheets 2-4. . Retrieved 2008/06/13.
• 2、 Gassen, Karl-Rudolf,Kirmse, Wolfgang. "Deamination Reactions, 43 - The Effect of Trifluoromethyl Groups on the Reactivity of Aliphatic Diazonium Ions and Carbocations". . p. 2233 - 2248. Retrieved 2007/10/02.