Benzene, 1-(2-chloroethyl)-3-fluoro-

Base Information

• Chemical Name: Benzene, 1-(2-chloroethyl)-3-fluoro-
• CAS No.: 41037-51-8
• Molecular Formula: C8H8 Cl F
• Molecular Weight: 158.603
• Hs Code.: 2903999090
• European Community (EC) Number: 888-128-0
• Mol file: 41037-51-8.mol

Synonyms:1-(2-chloroethyl)-3-fluoroBenzene;Benzene, 1-(2-chloroethyl)-3-fluoro-;41037-51-8;SCHEMBL9557085;1-fluoro-3-(chloroethyl)benzene;AKOS009359412;CS-0257664;EN300-675169;G34906

Chemical Property of Benzene, 1-(2-chloroethyl)-3-fluoro-

Chemical Property:

• PSA: 0.00000
• LogP: 2.60700
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 158.0298561
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

1-(2-Chloroethyl)-3-fluoro-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CCCl

Technology Process of Benzene, 1-(2-chloroethyl)-3-fluoro-

There total 2 articles about Benzene, 1-(2-chloroethyl)-3-fluoro- 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: 59.0%

Dichlorofluoromethane (75-43-4) + spiro[2.4]hepta-4,6-diene (765-46-8) → 1-(2-chloroethyl)-3-fluorobenzene (41037-51-8)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at -10 - 5 ℃;

DOI:10.1016/S0022-1139(00)83596-4

Reference yield:

C16H12ClFO4 (84648-19-1) → 1-(2-chloroethyl)-3-fluorobenzene (41037-51-8) + 3-fluorostyrene (350-51-6) + C14H12ClF (84648-31-7) + 3-Chloro-benzoic acid 2-(3-fluoro-phenyl)-ethyl ester (84648-26-0) + 1,3-Dichlorobenzene (541-73-1)

Guidance literature:

In various solvent(s); at 100 ℃; Mechanism; CIDNP, thermolyse;

DOI:10.1021/jo00155a006

Reference yield: 46.9%

1-(2-chloroethyl)-3-fluorobenzene (41037-51-8) + phenylacetonitrile (140-29-4) → alpha-[2-(3-fluorophenyl)ethyl]-phenylacetonitrile (111026-48-3)

Guidance literature:

With hydrogenchloride; NaH; In water; N,N-dimethyl-formamide; toluene;

upstream raw materials:

C₁₆H₁₂ClFO₄

Dichlorofluoromethane

spiro[2.4]hepta-4,6-diene

Downstream raw materials:

alpha-[2-(3-fluorophenyl)ethyl]-phenylacetonitrile

2-(2,4-difluorophenyl)-1-((3-fluorophenethyl)(prop-2-ynyl)amino)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

2-((2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)(3-fluorophenethyl)amino)acetonitrile

Refernces

• 1、 Volchkov, N. V.,Zabolotskikh, A. V.,Lipkind, M. B.,Nefedov, O. M.. "SYNTHESIS OF AROMATIC FLUORIDES BY THE REACTION OF FLUOROHALOCARBENES WITH CYCLOPENTADIENE DERIVATIVES UNDER PHASE TRANSFER CATALYSIS CONDITIONS". . p. 1782. Retrieved 2007/10/02.