4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride
• CAS No.: 210755-57-0
• Molecular Formula: C13H10ClFO3S
• Molecular Weight: 300.738
• DSSTox Substance ID: DTXSID00592612
• Nikkaji Number: J2.955.799C
• Wikidata: Q82486808
• Mol file: 210755-57-0.mol

Synonyms:210755-57-0;4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride;SCHEMBL5443121;DTXSID00592612;DAABFHOAKKNNRE-UHFFFAOYSA-N;AKOS000158954;4-(4-fluorobenzyloxy)benzenesulfonyl chloride;4-(4-fluoro-benzyloxy)-benzenesulfonyl chloride

Chemical Property of 4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.0023212
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)S(=O)(=O)Cl)F

Technology Process of 4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride

There total 6 articles about 4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl 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: 93.0%

bis[4-(4-fluorobenzyloxy)phenyl]disulfide (625814-06-4) → 4-(4-Fluoro-benzyloxy)-benzenesulfonyl chloride (210755-57-0)

Guidance literature:

With N-chloro-succinimide; water; acetic acid; at 20 ℃; Cooling with ice;

DOI:10.1080/00397911.2010.492461

Reference yield:

4-hydroxybenzenesulfonic acid sodium salt dihydrate (10580-19-5) + 4-Fluorobenzyl bromide (459-46-1) → 4-(4-fluoro-benzyloxy)-benzenesulfonic acid sodium salt + 4-(4-Fluoro-benzyloxy)-benzenesulfonyl chloride (210755-57-0)

Guidance literature:

In sodium hydroxide; ethanol;

Reference yield:

4-sulfanylphenol (637-89-8) → 4-(4-Fluoro-benzyloxy)-benzenesulfonyl chloride (210755-57-0)

Guidance literature:

Multi-step reaction with 3 steps

1: iodine / methanol

2: sodium hydride / N,N-dimethyl-formamide; mineral oil

3: N-chloro-succinimide; water; acetic acid / 20 °C / Cooling with ice

With N-chloro-succinimide; water; iodine; sodium hydride; acetic acid; In methanol; N,N-dimethyl-formamide; mineral oil;

DOI:10.1080/00397911.2010.492461

upstream raw materials:

bis[4-(4-fluorobenzyloxy)phenyl]disulfide

4-hydroxybenzenesulfonic acid sodium salt dihydrate

4-Fluorobenzyl bromide

bis(4-hydroxyphenyl)disulfide

Downstream raw materials:

(2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]-3-methyl-aziridine-2-carboxylic acid tert-butyl ester

(2R,3S)-2-[4-(4-Fluoro-benzyloxy)-benzenesulfonylamino]-3-hydroxy-butyric acid methyl ester

2R,3S-1-[4-(4-fluorobenzyloxy)-benzenesulfonyl]-3-isopropoxycarbonylamino-piperidine-2-carboxylic acid

4-(4-Fluoro-benzyloxy)-N-[(1R,2S)-2-hydroxy-1-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-propyl]-benzenesulfonamide