(2-Chloro-2-fluoro-1-methylcyclopropyl)benzene

Base Information

• Chemical Name: (2-Chloro-2-fluoro-1-methylcyclopropyl)benzene
• CAS No.: 702-48-7
• Molecular Formula: C10H10ClF
• Molecular Weight: 184.641
• DSSTox Substance ID: DTXSID40557664
• Mol file: 702-48-7.mol

Synonyms:(2-Chloro-2-fluoro-1-methylcyclopropyl)benzene;702-48-7;DTXSID40557664

Chemical Property of (2-Chloro-2-fluoro-1-methylcyclopropyl)benzene

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.0455062
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC1(F)Cl)C2=CC=CC=C2

Technology Process of (2-Chloro-2-fluoro-1-methylcyclopropyl)benzene

There total 8 articles about (2-Chloro-2-fluoro-1-methylcyclopropyl)benzene 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: 96.0%

(dichlorofluoromethyl)trimethylsilane (90503-30-3) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → (2-chloro-2-fluoro-1-methylcyclopropyl)benzene (702-48-7)

Guidance literature:

With tetrabutylammomium bromide; In toluene; at 110 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1039/d0cc06004f

Reference yield: 79.0%

trichlorofluoromethane (75-69-4) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → (2-chloro-2-fluoro-1-methylcyclopropyl)benzene (702-48-7)

Guidance literature:

With lithium aluminium tetrahydride; titanium tetrachloride; In tetrahydrofuran; Mechanism; syn/anti product ratios, further reaction of other alkenes; variation of reducing agent (ZrCl₄/LiAlH₄), mole ratios of reactants, temperature, time and solvent; use of different halocarbons;

DOI:10.1021/jo00289a038

Reference yield:

trichlorofluoromethane (75-69-4) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 1-Chlor-1-fluor-2-phenyl-2-methyl-cyclopropan (702-48-7,62360-18-3,62360-19-4) + 1-Fluor-1-chlor-2-methyl-2-phenyl-cyclopropan (702-48-7,62360-18-3,62360-19-4)

Guidance literature:

With lithium aluminium tetrahydride; titanium tetrachloride; In tetrahydrofuran; at 0 ℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)82445-4

upstream raw materials:

trichlorofluoromethane

isopropenylbenzene

dibromochlorofluoromethane

(dichlorofluoromethyl)trimethylsilane