2-(4-Fluorobenzyl)thiophene

Base Information

• Chemical Name: 2-(4-Fluorobenzyl)thiophene
• CAS No.: 63877-96-3
• Molecular Formula: C11H9FS
• Molecular Weight: 192.257
• Hs Code.: 2934999090
• European Community (EC) Number: 613-391-3
• DSSTox Substance ID: DTXSID30442050
• Nikkaji Number: J714.191B
• Wikidata: Q82259112
• Mol file: 63877-96-3.mol

Synonyms:2-(4-fluorobenzyl)thiophene;63877-96-3;2-[(4-fluorophenyl)methyl]thiophene;SCHEMBL3236567;DTXSID30442050;2-(4-fluorophenylmethyl)thiophene;YBIBLJMBFUFDOM-UHFFFAOYSA-N;MFCD00800241;AKOS025291105;SB17579;2-[(4-fluorophenyl)-methyl]-thiophene;BS-29077;CS-0052114;P10147;A834568;J-505980

Chemical Property of 2-(4-Fluorobenzyl)thiophene

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 264.282oC at 760 mmHg
• Flash Point: 113.634oC
• PSA: 28.24000
• Density: 1.183g/cm3
• LogP: 3.47800
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.04089962
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Fluorobenzyl)thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)F
• Uses: 2-(4-Fluorobenzyl)thiophene can be used to treat leukotriene related pathologies.

Technology Process of 2-(4-Fluorobenzyl)thiophene

There total 14 articles about 2-(4-Fluorobenzyl)thiophene 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: 97.0%

2-bromothiophene (1003-09-4) + [1,3-bis(diphenylphosphino)propane]dichloronickel(II) (15629-92-2,55659-60-4,55659-61-5) + 1-chloromethyl-4-fluorobenzene (352-11-4) → 2-(4-fluorophenylmethyl)thiophene (63877-96-3)

Guidance literature:

With magnesium; In diethyl ether;

Reference yield: 57.0%

thiophene boronic acid (6165-68-0) + 1-chloromethyl-4-fluorobenzene (352-11-4) → 2-(4-fluorophenylmethyl)thiophene (63877-96-3)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; [1-cyclohexyl-3-(di-pyridin-2-yl-methyl)-urea][PdCl₂]; In water; at 100 ℃; for 1.25h;

DOI:10.1002/adsc.200404195

Reference yield:

2-(4-fluorobenzoyl)thiophene (579-49-7) → 2-(4-fluorophenylmethyl)thiophene (63877-96-3)

Guidance literature:

2-(4-fluorobenzoyl)thiophene; With hydrazine; In diethylene glycol; at 245 ℃; for 1h;

With potassium hydroxide; In diethylene glycol; for 1h; Heating / reflux;

upstream raw materials:

2-bromothiophene

4-fluorobenzaldehyde

thiophene

4-Fluorobenzyl bromide

Downstream raw materials:

2-Bromo-5-(4-fluorophenylmethyl)thiophene

5-((4-fluorophenyl)methyl)-2-iodothiophene

3-[5-(4-Fluoro-benzyl)-thiophen-2-yl]-prop-2-yn-1-ol

4-<5-<(4-fluorophenyl)methyl>-2-thienyl>-3-butyn-2-ol

Refernces

• 1、 Najera, Carmen,Gil-Molto, Juan,Karlstroem, Sofia. "Suzuki-Miyaura and related cross-couplings in aqueous solvents catalyzed by di(2-pyridyl)methylamine-palladium dichloride complexes". . p. 1798 - 1811. Retrieved 2007/10/03.
• 2、 -. "Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis". . . Retrieved 2008/06/13.