3-Fluoro-1,2-propanediol

Base Information

• Chemical Name: 3-Fluoro-1,2-propanediol
• CAS No.: 453-16-7
• Molecular Formula: C3H7 F O2
• Molecular Weight: 94.0858
• Hs Code.: 2905590090
• European Community (EC) Number: 630-612-9
• NSC Number: 21306
• DSSTox Substance ID: DTXSID10941218
• Nikkaji Number: J90.909B
• ChEMBL ID: CHEMBL3276496
• Mol file: 453-16-7.mol

Synonyms:3-fluoro-1,2-propanediol

Chemical Property of 3-Fluoro-1,2-propanediol

Chemical Property:

• Vapor Pressure: 0.0197mmHg at 25°C
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 205.4°Cat760mmHg
• Flash Point: 87.2°C
• PSA: 40.46000
• Density: 1.192g/cm³
• LogP: -0.69090
• Storage Temp.: 2-8°C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 94.04300762
• Heavy Atom Count: 6
• Complexity: 32

Purity/Quality:

98%min ^*data from raw suppliers

3-FLUORO-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(CF)O)O

Technology Process of 3-Fluoro-1,2-propanediol

There total 6 articles about 3-Fluoro-1,2-propanediol 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: 47.0%

oxiranyl-methanol (556-52-5) → 3-fluoropropane-1,2-diol (453-16-7,30572-98-6)

Guidance literature:

With potassium hydrogen bifluoride; tetra-n-butylammonium dihydrogen trifluoride; at 80 ℃; for 30h; Product distribution; other O-protected glycidols; various times and temperatures;

DOI:10.1016/S0040-4020(01)92194-5

Reference yield:

epifluorohydrine (503-09-3) → 3-fluoropropane-1,2-diol (453-16-7,30572-98-6)

Guidance literature:

With sulfuric acid; In water; at 20 ℃; for 24h;

DOI:10.1016/j.elecom.2009.12.041

Reference yield:

4-fluoromethyl-2,2-dimethyl-[1,3]dioxolane (34331-41-4) → 3-fluoropropane-1,2-diol (453-16-7,30572-98-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01014a051

upstream raw materials:

4-fluoromethyl-2,2-dimethyl-[1,3]dioxolane

oxiranyl-methanol

3-monochloro-1,2-propanediol

epifluorohydrine

Downstream raw materials:

1-fluoro-3-(triphenylmethoxy)propan-2-ol

4-Nitro-benzoic acid 3-fluoro-2-oxo-propyl ester

(2R)-3-fluoropropane-1,2-diol

(2S)-3-fluoropropane-1,2-diol

Refernces

• 1、 Landini, Dario,Albanese, Domenico,Penso, Michele. "Regioselective conversion of O-protected glycidols to fluorohydrins catalyuzed by tetrabutylammonium dihydrogentrifluoride under solid-liquid PTC conditions". . p. 4163 - 4170. Retrieved 2007/10/02.