[1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol

Base Information

• Chemical Name: [1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol
• CAS No.: 89241-33-8
• Molecular Formula: C15H13 N O3 S
• Molecular Weight: 287.339
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50379894
• Nikkaji Number: J702.007D
• Wikidata: Q82169917
• Mol file: 89241-33-8.mol

Synonyms:89241-33-8;[1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol;(1-(Phenylsulfonyl)-1H-indol-3-yl)methanol;[1-(benzenesulfonyl)indol-3-yl]methanol;[1-(benzenesulfonyl)-1H-indol-3-yl]methanol;SCHEMBL946691;DTXSID50379894;ZMLXSFMIPYDHIN-UHFFFAOYSA-N;1-Phenylsulphonylindole-3-methanol;MFCD02682024;1-Benzenesulfonyl-1H-indol-3-ylmethanol;3-hydroxymethyl-N-(phenylsulfonyl)indole;1-(Phenylsulfonyl)-1H-indole-3-methanol;MS-22139;FT-0605387;J-502697;[1-(Phenylsulfonyl)-1H-indol-3-yl]methanol, AldrichCPR

Chemical Property of [1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol

Chemical Property:

• Vapor Pressure: 4.84E-12mmHg at 25°C
• Melting Point: 90 °C
• Boiling Point: 529.5°C at 760 mmHg
• Flash Point: 274°C
• PSA: 67.68000
• Density: 1.32g/cm³
• LogP: 3.45140
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 287.06161445
• Heavy Atom Count: 20
• Complexity: 425

Purity/Quality:

98%min ^*data from raw suppliers

[1-(PHENYLSULFONYL)-1H-INDOL-3-YL]METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO

Technology Process of [1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol

There total 9 articles about [1-(Phenylsulfonyl)-1H-Indol-3-Yl]Methanol 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: 80.0%

→ 1-(phenylsulfonyl)-3-(hydroxymethyl)indole (89241-33-8)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 48.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-iodo-1-phenylsulfonyl-1H-indole (80360-14-1) → 1-(phenylsulfonyl)-3-(hydroxymethyl)indole (89241-33-8)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; 1.) 0 deg C, 30 min, r.t., 30 min; 2.) r.t., overnight;

DOI:10.3987/com-95-s31

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-(phenylsulfonyl)-3-(hydroxymethyl)indole (89241-33-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) n-Bu₄NHSO₄, NaOH / 1) CH₂Cl₂, 0 deg C, 2) CH₂Cl₂, 0 - 5 deg C, 25 min

2: 100 percent / NaBH₄ / tetrahydrofuran; aq. ethanol / 1.25 h / 0 - 5 °C

With sodium hydroxide; sodium tetrahydroborate; tetra(n-butyl)ammonium hydrogensulfate; In tetrahydrofuran; ethanol;

DOI:10.1021/jo00048a021

upstream raw materials:

N-benzenesulfonyl-3-(bromomethyl)indole

formaldehyd

3-iodo-1-phenylsulfonyl-1H-indole

Indole-3-carboxaldehyde

Downstream raw materials:

1-(phenylsulfonyl)-3-(hydroxymethyl)indole-2-carboxaldehyde

carbamic acid 1-benzenesulfonyl-1H-indol-3-yl methyl ester

11H-benzo[a]carbazole

11-(phenylsulfonyl)-11H-benzocarbazole