4-Amino-N-methylbenzenemethanesulfonamide

Base Information

• Chemical Name: 4-Amino-N-methylbenzenemethanesulfonamide
• CAS No.: 109903-35-7
• Molecular Formula: C8H12N2O2S
• Molecular Weight: 200.261
• Hs Code.: 2935009090
• UNII: 76T5Q2TVD4
• DSSTox Substance ID: DTXSID90380787
• Wikidata: Q72439102
• Mol file: 109903-35-7.mol

Synonyms:4-Amino-N-methylbenzenemethanesulfonamide;109903-35-7;1-(4-aminophenyl)-N-methylmethanesulfonamide;4-Amino-N-methyl-alpha-toluenesulfonamide;Benzenemethanesulfonamide, 4-amino-N-methyl-;76T5Q2TVD4;4-(((Methylamino)sulfonyl)methyl)aniline;4-amino-n-methyl-alpha-toluenesulphonamide;4-Amino-N-methylbenzenemethanesulfonamide hydrochloride;(4-aminophenyl)-n-methylmethanesulfonamide;1-(4-aminophenyl)-N-methyl-methanesulfonamide;UNII-76T5Q2TVD4;SCHEMBL631823;4methylaminosulfonylmethylaniline;Sumatriptan Aminophenyl Impurity;4-methylaminosulfonylmethylaniline;DTXSID90380787;4-aminobenzyl sulfonyl methylamine;CIWNHTXCBHTWRV-UHFFFAOYSA-N;4-methylsulphamoylmethyl-phenylamine;AMY18669;MFCD00671697;AKOS009158415;CS-O-08208;CS-W022080;SB77421;4-Amino-N-methylbenzenemethanesulfonaide;TS-00334;4-Amino-N-methylbenzene methanesulphonamide;N-methyl-(4-aminophenyl)-methanesulfonamide;4-Amino-N-methyl- alpha -toluenesulfonamide;FT-0617588;(4-amino-phenyl)-N-methyl-methane sulfonamide;1-(4-aminophenyl)-n-methylmethanesulphonamide;C-(4-aminophenyl)-N-methyl-methanesulfonamide;(4-amino-phenyl)-N-methyl-methane sulphonamide;C-(4-amino-phenyl)-N-methyl-methanesulfonamide;O10284;4-Amino-N-methyl-alpha-toluenesulfonamide, 97%;J-002342

Chemical Property of 4-Amino-N-methylbenzenemethanesulfonamide

Chemical Property:

• Vapor Pressure: 3.25E-06mmHg at 25°C
• Melting Point: 140-142 °C(lit.)
• Refractive Index: 1.589
• Boiling Point: 387.6 °C at 760 mmHg
• PKA: 11.50±0.40(Predicted)
• Flash Point: 188.2 °C
• PSA: 80.57000
• Density: 1.297 g/cm³
• LogP: 2.37090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.06194880
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-N-methyl-α-toluenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)CC1=CC=C(C=C1)N
• Uses: 4-Amino-N-methylbenzenemethanesulfonamide is an intermediate used in the synthesis of Sumatriptan (S810000).

Technology Process of 4-Amino-N-methylbenzenemethanesulfonamide

There total 2 articles about 4-Amino-N-methylbenzenemethanesulfonamide 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: 95.0%

→ 1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7)

Guidance literature:

Reference yield:

(4-nitro-phenyl)-methanesulfonic acid methylamide (85952-29-0) → 1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.3987/COM-99-8815

Reference yield: 96.0%

1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7) → 2,6-Dibromo-4-methylaminosulfonylmethylaniline (180058-71-3)

Guidance literature:

With bromine; sodium hydrogencarbonate; In methanol; Ambient temperature;

DOI:10.1016/0040-4039(96)00322-X

upstream raw materials:

(4-nitro-phenyl)-methanesulfonic acid methylamide

Downstream raw materials:

2-Bromo-4-methylaminosulfonylmethylaniline

2,6-Dibromo-4-methylaminosulfonylmethylaniline

4-Hydrazino-N-methylbenzenemethanesulphonamide hydrochloride

4-Amino-3-iodo-N-methyl-benzenemethanesulfonamide

Refernces

• 1、 -. "Inhibitors of protein kinases". Page/Page column 22; 24. . Retrieved 2008/12/08.
• 2、 Pete, Bela,Bitter, Istvan,Harsanyi, Kalman,Toke, Laszlo. "Synthesis of 5-substituted indole derivatives, part II. Synthesis of sumatriptan through the Japp-Klingemann reaction". . p. 665 - 673. Retrieved 2007/10/03.