1-Fluoropropan-2-ol

Base Information

• Chemical Name: 1-Fluoropropan-2-ol
• CAS No.: 430-50-2
• Molecular Formula: C3H7 F O
• Molecular Weight: 78.0864
• Hs Code.: 2905590090
• European Community (EC) Number: 689-120-8
• DSSTox Substance ID: DTXSID70962843
• Nikkaji Number: J50.991D
• Mol file: 430-50-2.mol

Synonyms:1-fluoropropan-2-ol;1-Fluoro-2-propanol;430-50-2;Propanol, fluoro-;Propylene fluorohydrin;BRN 1731025;MFCD00039620;1-fluoropropane-2-ol;1-fluoro-propan-2-ol;1-Fluoroisopropyl alcohol;DTXSID70962843;AKOS005259727;LS-122324;FT-0694355;EN300-1870947

Chemical Property of 1-Fluoropropan-2-ol

Chemical Property:

• Vapor Pressure: 44.8mmHg at 25°C
• Refractive Index: 1.3822
• Boiling Point: 85.1°Cat760mmHg
• PKA: 13.99±0.20(Predicted)
• Flash Point: 33.3°C
• PSA: 20.23000
• Density: 0.959g/cm³
• LogP: 0.33670
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 78.048093005
• Heavy Atom Count: 5
• Complexity: 22.9

Purity/Quality:

98%Min ^*data from raw suppliers

1-Fluoropropan-2-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CF)O

Technology Process of 1-Fluoropropan-2-ol

There total 7 articles about 1-Fluoropropan-2-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: 46.0%

1-fluoro-2-propanone (430-51-3) → 1-fluoropropan-2-ol (430-50-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 40 ℃; for 0.166667h;

DOI:10.1021/jm9902234

Reference yield:

4-methyl-[1,3,2]dioxathiolane 2,2-dioxide (5689-83-8) → 1-fluoropropan-2-ol (430-50-2) + 2-fluoro-1-hydroxypropane (3824-87-1,143109-97-1)

Guidance literature:

With hydrogenchloride; tetramethylammonium fluoride; Multistep reaction; 1) CH₃CN, 10 min, reflux, 2) 80 deg C;

DOI:10.1021/jo00291a020

Reference yield:

epifluorohydrine (503-09-3) → 1-fluoropropan-2-ol (430-50-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja01469a039

upstream raw materials:

1-Chloro-2-propanol

methyloxirane

epifluorohydrine

1-fluoro-2-propanone

Downstream raw materials:

fluoro-acetic acid-(β-fluoro-isopropyl ester)

1-fluoro-2-propanone

toluene-4-sulfonic acid 2-fluoro-1-methyl-ethyl ester

3-[4-(2-fluoro-1-methylethoxy)phenyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one

Refernces

• 1、 Xing, Dongxia,Chen, Ping,Keil, Robert,Kilts, Clinton D.,Shi, Bing,Camp, Vernon M.,Malveaux, Gene,Ely, Timothy,Owens, Michael J.,Votaw, John,Davis, Margaret,Hoffman, John M.,BaKay, Roy A. E.,Subramanian, Thygarajan,Watts, Ray L.,Goodman, Mark M.. "Synthesis, biodistribution, and primate imaging of fluorine-18 labeled 2β-carbo-1'-fluoro-2-propoxy-3β-(4-chlorophenyl)tropanes. Ligands for the imaging of dopamine transporters by positron emission tomography". . p. 639 - 648. Retrieved 2007/10/03.
• 2、 Berridge,Franceschini,Rosenfeld,Tewson. "Cyclic sulfates: Useful substrates for selective nucleophilic substitution". . p. 1211 - 1217. Retrieved 2007/10/02.