3-Fluoro-2-butanone

Base Information

• Chemical Name: 3-Fluoro-2-butanone
• CAS No.: 814-79-9
• Molecular Formula: C4H7 F O
• Molecular Weight: 90.0974
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID70379038
• Nikkaji Number: J1.203.634E
• Mol file: 814-79-9.mol

Synonyms:3-fluoro-2-butanone;3-fluorobutan-2-one;814-79-9;2-butanone, 3-fluoro-;3-fluoranylbutan-2-one;AMY5968;DTXSID70379038;LJOQCXPELWJBRK-UHFFFAOYSA-N;3-Fluoro-2-butanone, AldrichCPR;MFCD01862088;AKOS006227602;FT-0676168;EN300-98237;A840141

Chemical Property of 3-Fluoro-2-butanone

Chemical Property:

• Vapor Pressure: 100mmHg at 25°C
• Melting Point: 74-76 °C
• Refractive Index: 1.345
• Boiling Point: 74-76
• Flash Point: 20.8°C
• Density: 0.924g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 90.048093005
• Heavy Atom Count: 6
• Complexity: 60.6

Purity/Quality:

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

3-Fluoro-2-butanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C)F

Technology Process of 3-Fluoro-2-butanone

There total 1 articles about 3-Fluoro-2-butanone 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:

2-Chlor-2,3-dimethyloxiran (71313-16-1) → 3-fluoro-2-butanone (814-79-9) + 3-chloro-2-butanone (4091-39-8)

Guidance literature:

With silver tetrafluoroborate; Yield given. Yields of byproduct given; ether, -30 deg C to r.t.;

Reference yield: 80.0%

3-fluoro-2-butanone (814-79-9) + benzyl diethylphosphonoacetate (7396-44-3) → (E)-4-Fluoro-3-methyl-pent-2-enoic acid benzyl ester

Guidance literature:

With sodium hydride; In diethyl ether; at 8 - 24 ℃;

DOI:10.1016/S0022-1139(00)82317-9

Reference yield:

3-fluoro-2-butanone (814-79-9) + 2-amino-1-[1-(3,4-dichlorophenyl)cyclobutyl]ethan-1-ol → 1-[1-(3,4-dichlorophenyl)cyclobutyl]-2-[(3-fluorobutan-2-yl)amino]ethan-1-ol

Guidance literature:

With sodium tris(acetoxy)borohydride; In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

2-Chlor-2,3-dimethyloxiran

Refernces