2,3-Dihydro-1H-indole-5-sulfonic acid methylamide

Base Information

• Chemical Name: 2,3-Dihydro-1H-indole-5-sulfonic acid methylamide
• CAS No.: 113162-46-2
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.26900
• European Community (EC) Number: 821-044-4
• DSSTox Substance ID: DTXSID10424697
• Wikidata: Q82237372
• ChEMBL ID: CHEMBL5017107
• Mol file: 113162-46-2.mol

Synonyms:113162-46-2;2,3-Dihydro-1H-indole-5-sulfonic acid methylamide;N-METHYLINDOLINE-5-SULFONAMIDE;N-methyl-2,3-dihydro-1H-indole-5-sulfonamide;5-methylsulfamoylindoline;SCHEMBL3237871;N-methyl-indoline-5-sulfonamide;CHEMBL5017107;DTXSID10424697;HXKOIZBLCHKMBW-UHFFFAOYSA-N;AKOS000302043;SB65223;CS-0251314;EN300-54339;1h-indole-5-sulfonamide,2,3-dihydro-n-methyl-;A803022;Z361896884

Chemical Property of 2,3-Dihydro-1H-indole-5-sulfonic acid methylamide

Chemical Property:

• Melting Point: 123-124 °C
• Boiling Point: 395.8±52.0 °C(Predicted)
• PKA: 12.54±0.20(Predicted)
• PSA: 66.58000
• Density: 1.285±0.06 g/cm3(Predicted)
• LogP: 2.17240
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-2,3-dihydro-1H-indole-5-sulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC2=C(C=C1)NCC2

Technology Process of 2,3-Dihydro-1H-indole-5-sulfonic acid methylamide

There total 5 articles about 2,3-Dihydro-1H-indole-5-sulfonic acid methylamide 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: 89.0%

5-(methylsulfamoyl)-N-acetylindoline (113162-45-1) → 5-(methylsulfamoyl)indoline (113162-46-2)

Guidance literature:

With hydrogenchloride; In methanol; for 1.5h; Heating;

DOI:10.1021/jo00244a036

Reference yield:

5-methylsulfamoyl-N-formylindoline → 5-(methylsulfamoyl)indoline (113162-46-2)

Guidance literature:

With hydrogenchloride; In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; chloroform;

Reference yield:

1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) → 5-(methylsulfamoyl)indoline (113162-46-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / chlorosulfonic acid / 0.75 h / 70 °C

2: 88 percent / triethylamine / CH₂Cl₂; H₂O / 2.5 h / Heating

3: 89 percent / conc. HCl / methanol / 1.5 h / Heating

With hydrogenchloride; chlorosulfonic acid; triethylamine; In methanol; dichloromethane; water;

DOI:10.1021/jo00244a036

upstream raw materials:

5-(methylsulfamoyl)-N-acetylindoline

1-Acetyl-2,3-dihydro-1H-indole

1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

Refernces

• 1、 -. "Antitumor compositions and methods of treatment". . . Retrieved 2008/06/13.
• 2、 -. "Antitumor compositions and methods of treatment". . . Retrieved 2008/06/13.