5-Bromo-1-(phenylsulfonyl)-1H-indole

Base Information

• Chemical Name: 5-Bromo-1-(phenylsulfonyl)-1H-indole
• CAS No.: 118757-11-2
• Molecular Formula: C14H10BrNO2S
• Molecular Weight: 336.209
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30379892
• Nikkaji Number: J2.343.456C
• Wikidata: Q82169913
• Mol file: 118757-11-2.mol

Synonyms:118757-11-2;5-Bromo-1-(phenylsulfonyl)-1H-indole;5-Bromo-1-(phenylsulfonyl)indole;1-(benzenesulfonyl)-5-bromoindole;5-Bromo-1-(phenylsulphonyl)-1H-indole;1-Phenylsulfonyl-5-bromoindole;1-Benzenesulfonyl-5-bromo-1H-indole;5-bromo-1-phenylsulfonylindole;SCHEMBL3526978;1-Benzenesulfonyl-5-bromoindole;DTXSID30379892;XUKSXJWRFMTAPZ-UHFFFAOYSA-N;MFCD03086087;AKOS015834785;1-(Phenylsulfonyl)-5-bromo-1H-indole;1-(Benzenesulfonyl)-5-bromo-1H-indole;BS-25414;CS-0206227;FT-0620060;W-204345;W-204984

Chemical Property of 5-Bromo-1-(phenylsulfonyl)-1H-indole

Chemical Property:

• Vapor Pressure: 4.73E-10mmHg at 25°C
• Melting Point: 90 °C
• Boiling Point: 498°Cat760mmHg
• Flash Point: 255°C
• PSA: 47.45000
• Density: 1.55g/cm³
• LogP: 4.72160
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 334.96156
• Heavy Atom Count: 19
• Complexity: 414

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-1-(phenylsulfonyl)indole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)Br

Technology Process of 5-Bromo-1-(phenylsulfonyl)-1H-indole

There total 7 articles about 5-Bromo-1-(phenylsulfonyl)-1H-indole 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: 99.0%

5-bromo-1H-indole (10075-50-0) + benzenesulfonyl chloride (98-09-9) → 1-Benzenesulfonyl-5-bromo-indole (118757-11-2)

Guidance literature:

5-bromo-1H-indole; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

benzenesulfonyl chloride; In tetrahydrofuran; at 0 - 50 ℃;

Reference yield: 78.0%

5-bromo-1-(phenylsulfonyl)indoline (118757-04-3) → 1-Benzenesulfonyl-5-bromo-indole (118757-11-2)

Guidance literature:

With manganese triacetate; In acetic acid; at 110 ℃;

DOI:10.1016/S0040-4039(00)86696-4

Reference yield:

5-bromo-1H-indole (10075-50-0) + tetra(n-butyl)ammonium hydrogen sulfate → 1-Benzenesulfonyl-5-bromo-indole (118757-11-2)

Guidance literature:

With benzenesulfonyl chloride; In sodium hydroxide; toluene;

upstream raw materials:

5-bromo-1-(phenylsulfonyl)indoline

5-bromo-1H-indole

benzenesulfonyl chloride

(4-bromophenyl)hydrazine

Downstream raw materials:

5-bromo-2-(trimethylsilyl)-1-(phenylsulfonyl)indole

1-(5-bromo-1-(phenylsulfonyl)-1H-indol-3-yl)ethanone

4-(5-bromo-1-phenylsulfonylindol-3-yl)-2-methoxycarbonylamino-4-oxobutanoic acid

9-[(1-phenylsulfonyl)indol-5-yl]-9H-fluoren-9-ol