1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride

Base Information

• Chemical Name: 1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride
• CAS No.: 342405-28-1
• Molecular Formula: C15H10 Cl N O3 S
• Molecular Weight: 319.768
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00379900
• Wikidata: Q82169928
• Mol file: 342405-28-1.mol

Synonyms:342405-28-1;1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride;1-(benzenesulfonyl)indole-2-carbonyl Chloride;1-(Phenylsulphonyl)-1H-indole-2-carbonyl chloride;1-(Benzenesulfonyl)-1H-indole-2-carbonyl chloride;1-(PHENYLSULFONYL)-1H-INDOLE-2-CARBONYLCHLORIDE;SCHEMBL3056166;DTXSID00379900;MFCD03086090;PS-10706;FT-0605856

Chemical Property of 1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 9.67E-11mmHg at 25°C
• Melting Point: 127 °C
• Boiling Point: 515.6°C at 760 mmHg
• Flash Point: 265.6°C
• PSA: 64.52000
• Density: 1.41g/cm³
• LogP: 4.33810
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 319.0069920
• Heavy Atom Count: 21
• Complexity: 496

Purity/Quality:

98%min ^*data from raw suppliers

1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)Cl

Technology Process of 1-(Phenylsulfonyl)-1H-indole-2-carbonyl chloride

There total 8 articles about 1-(Phenylsulfonyl)-1H-indole-2-carbonyl 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%

1-(phenylsulfonyl)-1H-indole-2-carboxylic acid (40899-93-2) → 1-phenylsulfonyl-1H-2-indolecarboxylic acid chloride (342405-28-1)

Guidance literature:

With thionyl chloride; for 1h; Heating;

DOI:10.1021/jm010988n

Reference yield:

1-benzenesulfonylindole (40899-71-6) → 1-phenylsulfonyl-1H-2-indolecarboxylic acid chloride (342405-28-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi / hexane; tetrahydrofuran / 1 h / -78 °C

1.2: 79 percent / hexane; tetrahydrofuran / -78 - 20 °C

2.1: 99 percent / SOCl₂ / 1 h / Heating

With n-butyllithium; thionyl chloride; In tetrahydrofuran; hexane;

DOI:10.1021/jm058033i

Reference yield:

indole (120-72-9) → 1-phenylsulfonyl-1H-2-indolecarboxylic acid chloride (342405-28-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / tetrahydrofuran / 1 h / 20 °C

1.2: 76 percent / tetrahydrofuran / 1 h

2.1: n-BuLi / hexane; tetrahydrofuran / 1 h / -78 °C

2.2: 79 percent / hexane; tetrahydrofuran / -78 - 20 °C

3.1: 99 percent / SOCl₂ / 1 h / Heating

With n-butyllithium; thionyl chloride; sodium hydride; In tetrahydrofuran; hexane;

DOI:10.1021/jm058033i

upstream raw materials:

1-(phenylsulfonyl)-1H-indole-2-carboxylic acid

indole

1-benzenesulfonylindole

benzenesulfonyl chloride

Downstream raw materials:

bis(1-phenylsulfonyl-1H-2-indolyl)methanone

(5-fluoro-1-phenylsulfonyl-1H-indol-2-yl)-(1-phenylsulfonyl-1H-indol-2-yl)methanone

N-benzenesulfonyl-2-(N',N'-dimethylhydrazinecarbonyl)indole

1-methyl-4-(phenyl-sulfonyl)-1H-furo[3,4-b]indol-3(4H)-one