4-Fluorobenzhydryl chloride

Base Information

• Chemical Name: 4-Fluorobenzhydryl chloride
• CAS No.: 365-21-9
• Molecular Formula: C13H10ClF
• Molecular Weight: 220.674
• Hs Code.: 2903999090
• European Community (EC) Number: 206-670-2
• DSSTox Substance ID: DTXSID40957802
• Nikkaji Number: J193.871A
• Mol file: 365-21-9.mol

Synonyms:4-Fluorobenzhydryl chloride;365-21-9;1-[chloro(phenyl)methyl]-4-fluorobenzene;1-(Chlorophenylmethyl)-4-fluorobenzene;1-(Chloro(phenyl)methyl)-4-fluorobenzene;EINECS 206-670-2;C13H10ClF;SCHEMBL6485306;C13-H10-Cl-F;DTXSID40957802;AKOS009237886;FS-6393;FT-0602343;(+/-)-1-(Chlorophenylmethyl)-4-fluorobenzene

Chemical Property of 4-Fluorobenzhydryl chloride

Chemical Property:

• Vapor Pressure: 0.00279mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 294.8 °C at 760mmHg
• Flash Point: 139.1 °C
• PSA: 0.00000
• Density: 1.191 g/cm³
• LogP: 4.15390
• Storage Temp.: -20°C Freezer
• Solubility.: Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 220.0455062
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

1-(Chlorophenylmethyl)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)Cl
• Uses: 1-(Chlorophenylmethyl)-4-fluorobenzene is an intermediate in synthesizing Defluoro Flunarizine Dihydrochloride (D228700), an impurity of Flunarizine(F455200, Dihydrochloride), which is a calcium channel blocker. Flunarizine is a fluorinated derivative of Cinnarizine and a vasodilator (cerebral and peripheral).

Technology Process of 4-Fluorobenzhydryl chloride

There total 10 articles about 4-Fluorobenzhydryl chloride 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: 100.0%

4-fluorobenzhydrol (149099-27-4,149243-88-9,365-22-0) → 1-(chlorophenylmethyl)-4-fluorobenzene (365-21-9)

Guidance literature:

With hydrogenchloride; tetrabutylammomium bromide; In water; at 40 - 45 ℃;

DOI:10.1016/j.bioorg.2019.103217

Reference yield:

4-fluorobenzophenone (345-83-5) → 1-(chlorophenylmethyl)-4-fluorobenzene (365-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / propan-2-ol

2: HCl, Drierite / CH₂Cl₂

With hydrogenchloride; calcium sulfate; sodium tetrahydroborate; In dichloromethane; isopropyl alcohol;

DOI:10.1021/jo01284a600

Reference yield:

→ 1-(chlorophenylmethyl)-4-fluorobenzene (365-21-9)

Guidance literature:

With hydrogenchloride; calcium chloride; Petroleum ether; benzene;

DOI:10.1021/ja01176a038

upstream raw materials:

4-fluorobenzhydrol

benzaldehyde

4-flourophenylmagnesium bromide

4-fluorobenzophenone

Downstream raw materials:

4-Fluor-benzhydrylkation

C₁₃H₁₀F

4-{2-[(4.4'-Difluorobenzhydryl)oxy]ethyl}-N-methyl-1-piperazinecarboxamide hydrochloride

(+)-1-[(4-fluorophenyl)phenylmethyl)piperazine

Refernces

• 1、 Xiang, Ming,Zhou, Chao,Yang, Xiu-Long,Chen, Bin,Tung, Chen-Ho,Wu, Li-Zhu. "Visible Light-Catalyzed Benzylic C-H Bond Chlorination by a Combination of Organic Dye (Acr+-Mes) and N-Chlorosuccinimide". . p. 9080 - 9087. Retrieved 2020/08/14.
• 2、 Jiang, Jun-Rong,Xu, Feng,Wu, Han-Gui. "Synthesis and Anticancer Activity of 1-(1H -Indol-3-yl)-2-(4-diarylmethylpiperazine-1-yl)ethane-1,2-dione Derivatives". . . Retrieved 2016/08/04.