Methylsulfamoyl chloride

Base Information

• Chemical Name: Methylsulfamoyl chloride
• CAS No.: 10438-96-7
• Molecular Formula: CH4ClNO2S
• Molecular Weight: 129.567
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20472720
• Wikidata: Q72487446
• Mol file: 10438-96-7.mol

Synonyms:METHYLSULFAMOYL CHLORIDE;10438-96-7;N-methylsulfamoyl chloride;methylaminosulfonyl chloride;MFCD00126938;Sulfamoyl chloride, methyl-;methylsulfamyl chloride;methyl sulfamoyl chloride;Sulfamoyl chloride,N-methyl-;Methylsulfamoylchlorid;methylsulfamyl choride;Methylsulphamoyl chloride;N-methylsulfamoylchloride;METHOTREXATEHYDRATE;methylsulfamic acid chloride;N-methyl sulfamoyl chloride;N-Methylaminosulfonyl chloride;SCHEMBL573159;DTXSID20472720;UJJUEJRWNWVHCM-UHFFFAOYSA-N;AMY20578;BCP04290;Methylsulfamoyl chloride, AldrichCPR;AKOS000196689;CS-11064;SY004236;CS-0150984;FT-0600279;A21090;EN300-112730

Chemical Property of Methylsulfamoyl chloride

Chemical Property:

• Vapor Pressure: 0.585mmHg at 25°C
• Refractive Index: 1.468
• Boiling Point: 188.906 °C at 760 mmHg
• PKA: 7.91±0.40(Predicted)
• Flash Point: 68.048 °C
• PSA: 54.55000
• Density: 1.502 g/cm³
• LogP: 1.16110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.9651272
• Heavy Atom Count: 6
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

MethylsulfamoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)Cl
• Uses: Methylsulfamoyl Chloride is used in preparation of substituted MEK inhibitors and therapeutic uses thereof.

Technology Process of Methylsulfamoyl chloride

There total 5 articles about Methylsulfamoyl chloride 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: 86.0%

→ N-methylsulfamoyl chloride (10438-96-7)

Guidance literature:

Reference yield: 85.0%

N-methylsulfamic acid (4112-03-2) → N-methylsulfamoyl chloride (10438-96-7)

Guidance literature:

With phosphorus pentachloride; In toluene; at 80 ℃; for 4h; Inert atmosphere;

Reference yield: 66.0%

methylamine hydrochloride (593-51-1) → N-methylsulfamoyl chloride (10438-96-7)

Guidance literature:

With sulfuryl dichloride; antimonypentachloride; In acetonitrile;

upstream raw materials:

N-methylsulfamic acid

methylamine hydrochloride

methylamine

Downstream raw materials:

Methyl-sulfamic acid [(2,6-dimethyl-phenyl)-methoxymethyl-carbamoyl]-methyl ester

N-Methyl-amidosulfonsaeure-methylester

2-morpholin-4-yl-cyclohex-2-enesulfonic acid methylamide

4-nitrophenyl N-methylsulfamate

Refernces

• 1、 Kiyokawa, Kensuke,Jou, Keisuke,Minakata, Satoshi. "Intramolecular C?H Amination of N-Alkylsulfamides by tert-Butyl Hypoiodite or N-Iodosuccinimide". supporting information. p. 13971 - 13976. Retrieved 2021/08/30.
• 2、 -. "BROMODOMAIN-INHIBITING COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING A CANCER". Page/Page column 45. . Retrieved 2015/11/27.