2-Methoxy-5-(2-oxopropyl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2-Methoxy-5-(2-oxopropyl)benzene-1-sulfonyl chloride
• CAS No.: 80223-79-6
• Molecular Formula: C10H11 Cl O4 S
• Molecular Weight: 262.714
• DSSTox Substance ID: DTXSID60518292
• Nikkaji Number: J446.479F
• Wikidata: Q82380888
• Mol file: 80223-79-6.mol

Synonyms:80223-79-6;2-Methoxy-5-(2-oxopropyl)benzene-1-sulfonyl chloride;2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride;Benzenesulfonylchloride, 2-methoxy-5-(2-oxopropyl)-;SCHEMBL4660848;DTXSID60518292;JCEWAIRJQKPKBH-UHFFFAOYSA-N;3-chlorosulfonyl-4-methoxyphenylactone;3-chlorosulfonyl-4-methoxyphenylacetone

Chemical Property of 2-Methoxy-5-(2-oxopropyl)benzene-1-sulfonyl chloride

Chemical Property:

• PSA: 68.82000
• LogP: 2.83500
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.0066577
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC(=C(C=C1)OC)S(=O)(=O)Cl

Technology Process of 2-Methoxy-5-(2-oxopropyl)benzene-1-sulfonyl chloride

There total 1 articles about 2-Methoxy-5-(2-oxopropyl)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: 100.0%

4-methoxybenzyl methyl ketone (122-84-9) → 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride (80223-79-6)

Guidance literature:

With chlorosulfonic acid; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2014.07.015

Reference yield: 74.0%

2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride (80223-79-6) → 2-methoxy-5-(2-oxopropyl)benzenesulfonamide (116091-63-5)

Guidance literature:

With ammonia; In tetrahydrofuran; water;

Reference yield:

2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride (80223-79-6) → tamsulosin hydrochloride (106133-20-4,80223-99-0,128332-25-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: ammonium hydroxide / ethyl acetate / 2 h / -5 - 20 °C

2.1: sodium methylate / methanol / 40 - 50 °C

2.2: 1.5 h / 9000.9 - 12751.3 Torr / Autoclave

3.1: ethanol / Heating

4.1: sodium hydroxide / methanol; water / Reflux

4.2: Reflux

With ammonium hydroxide; sodium methylate; sodium hydroxide; In methanol; ethanol; water; ethyl acetate;

upstream raw materials:

4-methoxybenzyl methyl ketone

Downstream raw materials:

1-[4-Methoxy-3-(piperidine-1-sulfonyl)-phenyl]-propan-2-one

1-[4-Methoxy-3-(morpholine-4-sulfonyl)-phenyl]-propan-2-one

1-[4-Methoxy-3-(thiomorpholine-4-sulfonyl)-phenyl]-propan-2-one

1-[4-Methoxy-3-(4-methyl-piperazine-1-sulfonyl)-phenyl]-propan-2-one