1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol

Base Information

• Chemical Name: 1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol
• CAS No.: 374-46-9
• Molecular Formula: C5H7 F5 O
• Molecular Weight: 178.1
• Hs Code.: 2905590090
• DSSTox Substance ID: DTXSID70597472
• Wikidata: Q82493021
• Mol file: 374-46-9.mol

Synonyms:1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol;374-46-9;3,3,4,4,4-pentafluoro-2-methylbutan-2-ol;3,3,4,4,4-pentafluoro-2-methyl-2-butanol;SCHEMBL9418913;DIALLYLTETRABROMOPHTHALATE;DTXSID70597472;VZNSVWKHKHDGCM-UHFFFAOYSA-N;MFCD00069121;AKOS006344691;EN300-1929808;A823656;3,3,4,4,4-pentakis(fluoranyl)-2-methyl-butan-2-ol

Chemical Property of 1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol

Chemical Property:

• Vapor Pressure: 4.38mmHg at 25°C
• Refractive Index: 1.3292
• Boiling Point: 130.2°Cat760mmHg
• Flash Point: 32.6°C
• PSA: 20.23000
• Density: 1.309g/cm³
• LogP: 1.95490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 178.04170565
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(C(F)(F)F)(F)F)O

Technology Process of 1,1,1,2,2-Pentafluoro-3-methylbutan-3-ol

There total 5 articles about 1,1,1,2,2-Pentafluoro-3-methylbutan-3-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: 64.0%

perfluoropropionic acid methyl ester (378-75-6) → 2-methyl-3,3,4,4,4-pentafluorobutan-2-ol (374-46-9)

Guidance literature:

DOI:10.1016/0022-1139(93)02960-M

Reference yield: 38.0%

(pentafluoro ethyl) magnesiumbromide (56184-59-9) + acetone (67-64-1) → 2-methyl-3,3,4,4,4-pentafluorobutan-2-ol (374-46-9)

Guidance literature:

In diethyl ether; reaction at -78°C, 3 hours;;

DOI:10.1016/S0022-1139(00)83238-8

Reference yield:

acetone (67-64-1) → 2-methyl-3,3,4,4,4-pentafluorobutan-2-ol (374-46-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01559a024

upstream raw materials:

methyl magnesium iodide

ethyl Pentafluoropropionate

dibutyl ether

pentafluoropropionic acid