4-Hydrazino-N-methylbenzenemethanesulfonamide

Base Information

• Chemical Name: 4-Hydrazino-N-methylbenzenemethanesulfonamide
• CAS No.: 139272-29-0
• Molecular Formula: C8H13N3O2S
• Molecular Weight: 215.276
• Hs Code.: 2935009090
• European Community (EC) Number: 406-090-1
• UNII: P65N0U1OCI
• DSSTox Substance ID: DTXSID60905047
• Nikkaji Number: J932.474G
• Wikidata: Q81988366
• Mol file: 139272-29-0.mol

Synonyms:1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide;139272-29-0;4-HYDRAZINO-N-METHYLBENZENEMETHANESULFONAMIDE;N-Methyl-4-diazanylsulfabenzamide;81880-96-8;P65N0U1OCI;4-Hydrazino-N-methylbenzene methanesulphonamide;Benzenemethanesulfonamide, 4-hydrazinyl-N-methyl-;EC 406-090-1;(4-hydrazinophenyl)-N-methylmethanesulfonamide hydrochloride;4-Hydrazino-N-methylbenzenemethane sulfonamide;UNII-P65N0U1OCI;SCHEMBL4849335;DTXSID60905047;AKOS015897400;AC-2020;SB78748;FT-0733421;N-Methyl(4-hydrazinophenyl)methanesulfonamide;1-(4-Hydrazinophenyl)-N-methylmethanesulfonamide;A886094;Q-101942;4-HYDRAZINO-N-METHYLBENZENEMETHANESULFONAMIDE(FORSUMATRIPTAN)

Chemical Property of 4-Hydrazino-N-methylbenzenemethanesulfonamide

Chemical Property:

• Vapor Pressure: 1.64E-07mmHg at 25°C
• Refractive Index: 1.619
• Boiling Point: 427.4 °C at 760 mmHg
• PKA: 11.47±0.40(Predicted)
• Flash Point: 212.3 °C
• PSA: 92.60000
• Density: 1.356 g/cm³
• LogP: 2.26640
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.07284784
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Hydrazinylphenyl)-N-methylmethanesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)CC1=CC=C(C=C1)NN

Technology Process of 4-Hydrazino-N-methylbenzenemethanesulfonamide

There total 6 articles about 4-Hydrazino-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:

1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7) → 4-hydrazinobenzyl methyl sulfone (139272-29-0)

Guidance literature:

1-(4-aminophenyl)-N-methylmethanesulfonamide; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 0.75h; Saturated solution;

With sodium sulfite; In water; at 0 - 65 ℃; for 17.25h;

Reference yield:

C8H10FNO2S → 4-hydrazinobenzyl methyl sulfone (139272-29-0)

Guidance literature:

With hydrazine hydrate; In dimethyl sulfoxide; at 100 ℃; for 12h;

Reference yield:

1-chloromethyl-4-fluorobenzene (352-11-4) → 4-hydrazinobenzyl methyl sulfone (139272-29-0)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium sulfite / water; acetone / 12 h / Reflux

2: N,N-dimethyl-formamide; thionyl chloride / dichloromethane / Reflux

3: dichloromethane / 3 h / 0 - 20 °C

4: hydrazine hydrate / dimethyl sulfoxide / 12 h / 100 °C

With thionyl chloride; hydrazine hydrate; N,N-dimethyl-formamide; sodium sulfite; In dichloromethane; water; dimethyl sulfoxide; acetone;

upstream raw materials:

1-(4-aminophenyl)-N-methylmethanesulfonamide

1-chloromethyl-4-fluorobenzene

C₇H₇FO₃S

4-fluorobenzylsulfonyl chloride

Downstream raw materials:

3-(2-aminoethyl)-1H-indole-5-yl-N-methyl methane sulphonamide

N-methyl-2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethanamine

1-(4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)phenyl)-N-methyl methanesulfonamide

1-[4-[(methylaminosulfonyl)methyl]phenyl]-1H-pyrazole-4-carboxamide

Refernces

• 1、 -. "Simple preparation method of p-hydrazinobenzenesulfonic acid compound". . . Retrieved 2020/04/29.
• 2、 -. "P38 MAP KINASE INHIBITORS". Page/Page column 51-52. . Retrieved 2011/10/31.