5-Bromo-2-propionylphenyl methanesulfonate

Base Information

• Chemical Name: 5-Bromo-2-propionylphenyl methanesulfonate
• CAS No.: 215815-08-0
• Molecular Formula: C10H11 Br O4 S
• Molecular Weight: 307.165
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID10448575
• Nikkaji Number: J1.139.383G
• Wikidata: Q82267632
• Mol file: 215815-08-0.mol

Synonyms:215815-08-0;5-BROMO-2-PROPIONYLPHENYL METHANESULFONATE;(5-bromo-2-propanoylphenyl) methanesulfonate;1-Propanone,1-[4-bromo-2-[(methylsulfonyl)oxy]phenyl]-;5-BROMO-2-PROPIONYLPHENYLMETHANESULFONATE;SCHEMBL4264335;DTXSID10448575;OTYZMSGPZHZGGI-UHFFFAOYSA-N;AKOS027384325;5-bromo-2-propanylphenyl methanesulfonate;Methanesulfonic acid 2-propionyl-5-bromophenyl ester;Methanesulfonic acid 5bromo-2-propionyl-phenyl ester;Methanesulfonic acid 5-bromo-2-propionyl-phenyl ester

Chemical Property of 5-Bromo-2-propionylphenyl methanesulfonate

Chemical Property:

• Boiling Point: 435.6±45.0 °C(Predicted)
• PSA: 68.82000
• Density: 1.545±0.06 g/cm3(Predicted)
• LogP: 3.46100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 305.95614
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-2-propionylphenyl methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)Br)OS(=O)(=O)C

Technology Process of 5-Bromo-2-propionylphenyl methanesulfonate

There total 3 articles about 5-Bromo-2-propionylphenyl methanesulfonate 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: 81.0%

1-(4-bromo-2-hydroxyphenyl)-propan-1-one (17764-92-0) + methanesulfonyl chloride (124-63-0) → 5-bromo-2-propionylphenyl methanesulfonate (215815-08-0)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1055/s-1999-3431

Reference yield:

3-Bromophenol (591-20-8) → 5-bromo-2-propionylphenyl methanesulfonate (215815-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride

2: triethylamine

With aluminum (III) chloride; triethylamine;

DOI:10.1021/op010223p

Reference yield:

3-Bromophenol (591-20-8) → 5-bromo-2-propionylphenyl methanesulfonate (215815-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / AlCl₃ / 1,2-dichloro-ethane / 2 h / Heating

2: 81 percent / Et₃N / CH₂Cl₂

With aluminium trichloride; triethylamine; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1055/s-1999-3431

upstream raw materials:

1-(4-bromo-2-hydroxyphenyl)-propan-1-one

methanesulfonyl chloride

3-Bromophenol

Downstream raw materials:

6-bromo-1-cyclohexyl-3-ethyl-1H-indazole

6-bromo-1-methyl-3-ethyl-1H-indazole

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