2-(Benzyloxy)-1-chloro-3-fluorobenzene

Base Information

• Chemical Name: 2-(Benzyloxy)-1-chloro-3-fluorobenzene
• CAS No.: 938180-34-8
• Molecular Formula: C13H10ClFO
• Molecular Weight: 236.673
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90682091
• Wikidata: Q82606362
• Mol file: 938180-34-8.mol

Synonyms:2-(BENZYLOXY)-1-CHLORO-3-FLUOROBENZENE;938180-34-8;1-chloro-3-fluoro-2-phenylmethoxybenzene;SCHEMBL1018512;DTXSID90682091;AEGRIUGGOYNHLJ-UHFFFAOYSA-N;MFCD13195733;AKOS015839432;1-Benzyloxy-2-chloro-6-fluoro-benzene;BS-22761;2-Chloro-6-fluorophenyl phenylmethyl ether;CS-0193955;N12103

Chemical Property of 2-(Benzyloxy)-1-chloro-3-fluorobenzene

Chemical Property:

• PSA: 9.23000
• LogP: 4.05810
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.0404208
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

2-(Benzyloxy)-1-chloro-3-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)COC2=C(C=CC=C2Cl)F

Technology Process of 2-(Benzyloxy)-1-chloro-3-fluorobenzene

There total 1 articles about 2-(Benzyloxy)-1-chloro-3-fluorobenzene 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: 92.0%

2-chloro-6-fluorophenol (2040-90-6) + benzyl bromide (100-39-0) → 2-chloro-6-fluorophenyl phenylmethyl ether (938180-34-8)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 12h;

Reference yield: 83.0%

2-chloro-6-fluorophenyl phenylmethyl ether (938180-34-8) + dicyanozinc (557-21-1) → 3-fluoro-2-[(phenylmethyl)oxy]benzonitrile (938180-35-9)

Guidance literature:

bis(tri-t-butylphosphine)palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 150 ℃; for 0.333333h; Microwave reactor;

Reference yield:

2-chloro-6-fluorophenyl phenylmethyl ether (938180-34-8) → 2-(benzyloxy)-3-fluorophenol (148872-80-4)

Guidance literature:

With potassium hydroxide; tert-butyl XPhos; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In 1,4-dioxane; water; at 120 ℃; for 0.116667h; Microwave irradiation;

upstream raw materials:

2-chloro-6-fluorophenol

benzyl bromide

Downstream raw materials:

3-fluoro-2-[(phenylmethyl)oxy]benzonitrile

2-(benzyloxy)-3-fluorophenol

Refernces

• 1、 -. "CALCILYTIC COMPOUNDS". Page/Page column 60. . Retrieved 2008/06/13.