3-Fluoropropan-1-ol

Base Information

• Chemical Name: 3-Fluoropropan-1-ol
• CAS No.: 462-43-1
• Molecular Formula: C3H7FO
• Molecular Weight: 78.0864
• Hs Code.: 29051990
• European Community (EC) Number: 671-654-8
• DSSTox Substance ID: DTXSID90196764
• Nikkaji Number: J50.984A
• Wikidata: Q72476630
• ChEMBL ID: CHEMBL4450750
• Mol file: 462-43-1.mol

Synonyms:3-fluoropropan-1-ol;462-43-1;3-Fluoro-1-propanol;3-Fluoropropanol;Propanol, 3-fluoro-;3-fluoro-propan-1-ol;omega-Fluoropropanol;3-Hydroxypropyl fluoride;TL 1510;1-Propanol, 3-fluoro-;BRN 1731076;MFCD00039548;4-01-00-01437 (Beilstein Handbook Reference);3-fluoro-propanol;3-fluorpropane-1-ol;3-fluoropropane-1-ol;CHEMBL4450750;DTXSID90196764;3-Fluoro-1-propanol, AldrichCPR;AM1014;AKOS006229996;TL-1510;SY033053;1-Propanol, 3-fluoro- (6CI,8CI,9CI);LS-122325;CS-0170820;F1138;FT-0650610;EN300-84221

Chemical Property of 3-Fluoropropan-1-ol

Chemical Property:

• Vapor Pressure: 4.99mmHg at 25°C
• Refractive Index: 1.3771
• Boiling Point: 127.8 °C at 760 mmHg
• PKA: 14.69±0.10(Predicted)
• Flash Point: 38.5 °C
• PSA: 20.23000
• Density: 0.963 g/cm³
• LogP: 0.33830
• Storage Temp.: Refrigerator
• Solubility.: Acetone, Methanol
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 78.048093005
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoropropan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F,T
• Statements: 10-52-41-37/38-25-36/37/38
• Safety Statements: 16-36-45-39-26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)CF
• Uses: 3-Fluoropropan-1-ol is used as a reagent to synthesize fluorinated amino acids (e.g. DL-erythro-4-Fluoroglutamine [F591630]). 3-Fluoropropan-1-ol is also used as a reagent to synthesize labelled N-desmethyl-loperamide analogues, compounds that have potential use as imaging radiotracers.

Technology Process of 3-Fluoropropan-1-ol

There total 6 articles about 3-Fluoropropan-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: 54.0%

1-chloro-3-hydroxypropane (627-30-5) → 3-fluoropropane-1-ol (462-43-1)

Guidance literature:

With potassium fluoride; In ethylene glycol; at 130 - 160 ℃; for 3h;

DOI:10.1002/jlcr.1145

Reference yield: 37.0%

1-(3-Hydroxy-propyl)-2,4,6-triphenyl-pyridinium; fluoride (71742-12-6) → 3-fluoropropane-1-ol (462-43-1)

Guidance literature:

at 60 ℃; under 760 Torr;

Reference yield:

trimethyleneglycol (504-63-2) → 2-oxo-1,3,2-dioxathiane (4176-55-0) + 3-fluoropropane-1-ol (462-43-1)

Guidance literature:

With sulfur tetrafluoride; at 20 ℃; for 35h; Product distribution;

upstream raw materials:

benzoic acid-(3-fluoro-propyl ester)

1-chloro-3-hydroxypropane

1-(3-Hydroxy-propyl)-2,4,6-triphenyl-pyridinium; fluoride

trimethyleneglycol

Downstream raw materials:

1-chloro-3-fluoro-propane

1-Bromo-3-fluoropropane

1-fluoro-3-iodo-propane

3-fluoropropanoic 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、 -. "FLUORINATED DIHYDROTETRABENAZINE ETHER IMAGING AGENTS AND PROBES". Page/Page column 22. . Retrieved 2009/05/29.