4-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride
• CAS No.: 165669-32-9
• Molecular Formula: C10H12 Cl N O4 S2
• Molecular Weight: 309.795
• European Community (EC) Number: 834-806-6
• DSSTox Substance ID: DTXSID10381554
• Wikidata: Q82172448
• Mol file: 165669-32-9.mol

Synonyms:165669-32-9;4-(pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride;4-pyrrolidin-1-ylsulfonylbenzenesulfonyl Chloride;4-(Pyrrolidin-1-ylsulfonyl)benzene-1-sulfonyl chloride;4-(PYRROLIDINE-1-SULFONYL)-BENZENESULFONYL CHLORIDE;4-(Pyrrolidin-1-ylsulfonyl)benzene-1-sulfonylchloride;4-(Pyrrolidin-1-ylsulphonyl)benzenesulphonyl chloride;SCHEMBL1020053;DTXSID10381554;MFCD03407360;AKOS000200120;CS-0221530;FT-0616855;EN300-09388;4-(Pyrrolidin-1-ylsulfony)-benzenesulfonyl chloride;4-(PYRROLIDINE-1-SULFONYL)phenylsulfonyl CHLORIDE;4-(PYRROLIDINE-1-SULFONYL)-BENZENESULFONYLCHLORIDE;4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl chloride, AldrichCPR

Chemical Property of 4-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 3.06E-08mmHg at 25°C
• Melting Point: 133 °C
• Refractive Index: 1.598
• Boiling Point: 448.6°Cat760mmHg
• PKA: -6.53±0.20(Predicted)
• Flash Point: 225.1°C
• PSA: 88.28000
• Density: 1.52g/cm³
• LogP: 3.49810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 308.9896279
• Heavy Atom Count: 18
• Complexity: 477

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride

There total 1 articles about 4-(Pyrrolidine-1-sulfonyl)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:

→ 4-(pyrrolidin-1-ylsulfonyl)benzenesulfonyl chloride (165669-32-9)

Guidance literature:

Reference yield: 64.0%

4-(pyrrolidin-1-ylsulfonyl)benzenesulfonyl chloride (165669-32-9) + C29H31F3N6O4 (1150267-47-2) → C39H42F3N7O8S2 (1150267-49-4)

Guidance literature:

With potassium carbonate; In dichloromethane; water; for 0.166667h;

Reference yield: 62.0%

4-(pyrrolidin-1-ylsulfonyl)benzenesulfonyl chloride (165669-32-9) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-(4-(pyrrolidin-1-ylsulfonyl)phenylsulfonamido)acetic acid (1430072-67-5)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 20 ℃;

DOI:10.1016/j.ejmech.2012.12.058

Downstream raw materials:

1-Chloro-6-(4-(pyrrolidin-1-ylsulfonyl)benzenesulfonylamino)isoquinoline

C₃₉H₄₂F₃N₇O₈S₂

2-(5-methyl-6-(4-(pyrrolidin-1-ylsulfonyl)phenylsulfonyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid

C₁₂H₁₇N₃O₆S₂

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