5-bromo-2-ethoxy-benzenesulfonyl Chloride

Base Information

• Chemical Name: 5-bromo-2-ethoxy-benzenesulfonyl Chloride
• CAS No.: 379255-01-3
• Molecular Formula: C8H8BrClO3S
• Molecular Weight: 299.573
• DSSTox Substance ID: DTXSID80395067
• Wikidata: Q82194864
• Mol file: 379255-01-3.mol

Synonyms:5-bromo-2-ethoxy-benzenesulfonyl Chloride;379255-01-3;5-bromo-2-ethoxybenzenesulfonyl chloride;5-bromo-2-ethoxybenzene-1-sulfonyl chloride;SCHEMBL2701151;DTXSID80395067;MFCD03147321;AKOS000115113;5-bromo-2-ethoxy-benzenesulfonylChloride;BS-28296;CS-0213103;EN300-01718;F11832;A857016;5-bromo-2-ethoxy-benzenesulfonyl chloride, AldrichCPR

Chemical Property of 5-bromo-2-ethoxy-benzenesulfonyl Chloride

Chemical Property:

• PSA: 51.75000
• LogP: 3.85610
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.90661
• Heavy Atom Count: 14
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-ethoxy-benzenesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)Br)S(=O)(=O)Cl

Technology Process of 5-bromo-2-ethoxy-benzenesulfonyl Chloride

There total 2 articles about 5-bromo-2-ethoxy-benzenesulfonyl 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: 43.3%

4-bromoethoxybenzene (588-96-5) → 5-bromo-2-ethoxybenzene-1-sulfonyl chloride (379255-01-3)

Guidance literature:

With chlorosulfonic acid; at -10 ℃; for 0.333333h;

Reference yield:

4-bromo-phenol (106-41-2) → 5-bromo-2-ethoxybenzene-1-sulfonyl chloride (379255-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 80 °C

2: chlorosulfonic acid / dichloromethane / 0 - 20 °C

With chlorosulfonic acid; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1007/s12039-020-01874-2

Reference yield: 87.0%

5-bromo-2-ethoxybenzene-1-sulfonyl chloride (379255-01-3) + tert-butyl ((S)-3-(3-(cyclopropylsulfonyl)phenoxy)-2-hydroxypropyl)((S)-1-oxa-8-azaspiro[4.5]decan-3-yl)carbamate → tert-butyl ((S)-8-((5-bromo-2-ethoxyphenyl)sulfonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl)((S)-3-(3-(cyclopropylsulfonyl)phenoxy)-2-hydroxypropyl)carbamate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

4-bromoethoxybenzene

4-bromo-phenol

Downstream raw materials:

ethyl 4-(5-bromo-2-ethoxyphenylslulfonamido) benzoate

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