4-Fluoro-1-butanol

Base Information

• Chemical Name: 4-Fluoro-1-butanol
• CAS No.: 372-93-0
• Molecular Formula: C4H9FO
• Molecular Weight: 92.1133
• Hs Code.: 2905590090
• European Community (EC) Number: 836-238-4
• DSSTox Substance ID: DTXSID60190698
• Nikkaji Number: J42.078F
• Wikipedia: 4-Fluorobutanol
• Wikidata: Q83063083
• ChEMBL ID: CHEMBL4450925
• Mol file: 372-93-0.mol

Synonyms:4-FLUORO-1-BUTANOL;372-93-0;4-fluorobutan-1-ol;4-Fluorobutanol;1-BUTANOL, 4-FLUORO-;omega-Fluorobutanol;61599-24-4;BRN 1697078;4-Fluoro-butan-1-ol;C4H9FO;MFCD00039555;CHEMBL4450925;C4-H9-F-O;DTXSID60190698;AKOS006274816;LS-46547;FT-0668623;FT-0695620;E85260;EN300-206962

Chemical Property of 4-Fluoro-1-butanol

Chemical Property:

• Vapor Pressure: 19.7mmHg at 25°C
• Refractive Index: 1.374
• Boiling Point: 101.5 °C at 760 mmHg
• PKA: 15.00±0.10(Predicted)
• Flash Point: 45.4 °C
• PSA: 20.23000
• Density: 0.944 g/cm³
• LogP: 0.72840
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 92.063743068
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCF)CO
• Uses: 4-FLUORO-1-BUTANOL is a fluorinated butanol used as a reagent in the preparation of a wide array of organic compounds.

Technology Process of 4-Fluoro-1-butanol

There total 7 articles about 4-Fluoro-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: 98.0%

4-fluorobutyl acetate (373-09-1) → 1-fluoro-4-hydroxybutane (372-93-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 4h;

DOI:10.1039/b506635b

Reference yield:

Butane-1,4-diol (110-63-4) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + cyclic sulfite of 1,4-butanediol (5732-45-6) + 1-fluoro-4-hydroxybutane (372-93-0)

Guidance literature:

With sulfur tetrafluoride; In diethyl ether; at 20 ℃; for 45h; Yield given; stainless-steel autoclave;

Reference yield:

1-benzyloxy-4-fluorobutane → 1-fluoro-4-hydroxybutane (372-93-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In dichloromethane; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/cmdc.201600325

upstream raw materials:

benzoic acid-(4-fluoro-butyl ester)

4-chloro-butyric acid ethyl ester

Butane-1,4-diol

C₄H₈FO₄S^(1-)*Na⁽¹⁺⁾

Downstream raw materials:

1,4-dibromo-butane

tetrahydrofuran

hydrogen fluoride

4-fluorobutanoic acid

Refernces

• 1、 Vorberg, Raffael,Trapp, Nils,Zimmerli, Daniel,Wagner, Bj?rn,Fischer, Holger,Kratochwil, Nicole A.,Kansy, Manfred,Carreira, Erick M.,Müller, Klaus. "Effect of Partially Fluorinated N-Alkyl-Substituted Piperidine-2-carboxamides on Pharmacologically Relevant Properties". . p. 2216 - 2239. Retrieved 2016/10/19.
• 2、 Berridge,Franceschini,Rosenfeld,Tewson. "Cyclic sulfates: Useful substrates for selective nucleophilic substitution". . p. 1211 - 1217. Retrieved 2007/10/02.