N,N-Dimethylindoline-5-Sulfonamide

Base Information

• Chemical Name: N,N-Dimethylindoline-5-Sulfonamide
• CAS No.: 99169-99-0
• Molecular Formula: C₁₀H₁₄N₂O₂S
• Molecular Weight: 226.299
• Hs Code.: 2935009090
• European Community (EC) Number: 677-483-5
• DSSTox Substance ID: DTXSID00371146
• Wikidata: Q82158403
• Mol file: 99169-99-0.mol

Synonyms:N,N-Dimethylindoline-5-Sulfonamide;99169-99-0;N,N-dimethyl-2,3-dihydro-1H-indole-5-sulfonamide;2,3-Dihydro-N,N-dimethyl-5-(1H)-indolesulfonamide;MFCD00214476;N,N-Dimethylindoline-5-sulphonamide;Peakdale1_000450;SCHEMBL994897;HMS519E10;DTXSID00371146;RTBHIQIVIFMZDZ-UHFFFAOYSA-N;ZDA16999;BOC-(R)-?-(p-methylphenyl)alanine;STK727280;AKOS000118133;PS-4902;SB64326;N~5~,N~5~-dimethyl-5-indolinesulfonamide;FT-0642389;EN300-15292;dihydro-1h-indole-5-sulfonic acid dimethylamide;N,N-Dimethyl-5-indolinesulfonamide, AldrichCPR;A845971;SR-01000385266;SR-01000385266-1;2,3-Dihydro-N,N-dimethyl-5-(1H)-indolesulphonamide;Z125284302

Chemical Property of N,N-Dimethylindoline-5-Sulfonamide

Chemical Property:

• Vapor Pressure: 2.78E-06mmHg at 25°C
• Melting Point: 109-111 °C
• Refractive Index: 1.575
• Boiling Point: 389.8 °C at 760 mmHg
• Flash Point: 189.5 °C
• PSA: 57.79000
• Density: 1.256 g/cm³
• LogP: 2.12370
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethylindoline-5-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N-Dimethylindoline-5-Sulfonamide

There total 6 articles about N,N-Dimethylindoline-5-Sulfonamide 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: 83.0%

N-Formyl-5-(dimethylsulfomoyl)indoline (155110-46-6) → 5-(Dimethylsulfomoyl)indoline (99169-99-0)

Guidance literature:

With hydrogenchloride; In methanol; for 16h; Ambient temperature;

DOI:10.1021/jo00090a050

Reference yield:

1-indoline (496-15-1) → 5-(Dimethylsulfomoyl)indoline (99169-99-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 88 percent / toluene / 6 h / Heating

2: 83 percent / ClSO₃H / 0.25 h / Heating

3: 81 percent / CH₂Cl₂; H₂O / 0.25 h

4: 83 percent / HCl / methanol / 16 h / Ambient temperature

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

DOI:10.1021/jo00090a050

Reference yield:

N-formylindoline (2861-59-8) → 5-(Dimethylsulfomoyl)indoline (99169-99-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / ClSO₃H / 0.25 h / Heating

2: 81 percent / CH₂Cl₂; H₂O / 0.25 h

3: 83 percent / HCl / methanol / 16 h / Ambient temperature

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

DOI:10.1021/jo00090a050

upstream raw materials:

N-Formyl-5-(dimethylsulfomoyl)indoline

N,N-dimethylindole-5-sulfonamide

1-indoline

N-formylindoline

Downstream raw materials:

2-[3,6-Bis-(5-dimethylsulfamoyl-2,3-dihydro-indol-1-yl)-9H-xanthen-9-yl]-benzenesulfonic acid

2-[3,6-Bis-(5-dimethylsulfamoyl-2,3-dihydro-indol-1-yl)-9H-xanthen-9-yl]-benzenesulfonyl chloride

Refernces

• 1、 Carlier, Paul R.,Lockshin, Mary P.,Filosa, Michael P.. "Unexpected Regioselectivity in the Sulfonation of Leuco Xanthene Dyes". . p. 3232 - 3236. Retrieved 2007/10/02.