2,2,3,3,4,4,4-Heptafluoro-1-butanol

Base Information

• Chemical Name: 2,2,3,3,4,4,4-Heptafluoro-1-butanol
• CAS No.: 375-01-9
• Molecular Formula: C4H3 F7 O
• Molecular Weight: 200.056
• Hs Code.: 29055900
• European Community (EC) Number: 206-782-1
• NSC Number: 60528
• UNII: 5R7VC6NQE7
• DSSTox Substance ID: DTXSID4059914
• Nikkaji Number: J70.068A
• Wikidata: Q66084470
• ChEMBL ID: CHEMBL4570439
• Mol file: 375-01-9.mol

Synonyms:1,1-dihydroperfluorobutyl alcohol;1H,1H-heptafluorobutanol;1H,1H-heptafluorobutanol-1;2,2,3,3,4,4,4-heptafluoro-1-butanol;2,2,3,3,4,4,4-heptafluorobutan-1-ol;2,2,3,3,4,4,4-heptafluorobutanol;heptafluorobutanol

Chemical Property of 2,2,3,3,4,4,4-Heptafluoro-1-butanol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 27.4mmHg at 25°C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 95°Cat760mmHg
• PKA: 12.53±0.10(Predicted)
• Flash Point: 25°C
• PSA: 20.23000
• Density: 1.534g/cm³
• LogP: 1.81160
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 200.00721185
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99.9% ^*data from raw suppliers

2,2,3,3,4,4,4-Heptafluoro-1-butanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)O
• Uses: 2,2,3,3,4,4,4-Heptafluoro-1-butanol can be used to synthesize poly(2-hydroxyethyl vinyl ether)-block-poly(2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl vinyl ether) (poly(HOVE-b-HFBOVE), a fluorinated amphiphilic block copolymer.

Technology Process of 2,2,3,3,4,4,4-Heptafluoro-1-butanol

There total 16 articles about 2,2,3,3,4,4,4-Heptafluoro-1-butanol 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%

methyl heptafluorobutyrate (356-24-1) → 2,2,3,3,4,4,4-heptafluorobutanol (375-01-9)

Guidance literature:

With carbonylchlorohydrido[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen; sodium methylate; In methanol; at 40 ℃; for 23h; under 7500.75 Torr; Temperature; Autoclave;

DOI:10.1039/c3ra43410a

Reference yield: 97.0%

chloral hydrate (302-17-0) + C14H9F14O2P → 2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) + C12H9Cl3F7O3P (1235818-81-1)

Guidance literature:

In benzene; at 30 - 40 ℃; Inert atmosphere;

DOI:10.1134/S1070363210030096

Reference yield: 92.0%

isopropyl 2,2,3,3,4,4,4-heptafluorobutyrate (425-23-0) → 2,2,3,3,4,4,4-heptafluorobutanol (375-01-9)

Guidance literature:

With RuCl2(DPPEA)(±DAIPEN); hydrogen; sodium methylate; In isopropyl alcohol; at 80 ℃; for 30h; under 750.075 - 15001.5 Torr; Autoclave;

upstream raw materials:

ethylmagnesium iodide

2,2,3,3,4,4,4-heptafluorobutanal

diethyl ether

heptafluorobutyric Acid

Downstream raw materials:

2,2,3,3,4,4,4-heptafluorobutanal

tris(1,1-dihydroperfluorobutyl) phosphate

acetic acid-(1H,1H-heptafluoro-butyl ester)

toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester)

Refernces

• 1、 -. "SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION". Paragraph 0237-0238. . Retrieved 2020/11/24.
• 2、 Lazzari, Dario,Cassani, Maria Cristina,Bertola, Maurizio,Moreno, Francisco Casado,Torrente, Damiano. "Homogeneous catalytic hydrogenation of perfluoro methyl esters". . p. 15582 - 15584. Retrieved 2013/09/12.