1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide

Base Information

• Chemical Name: 1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide
• CAS No.: 151140-66-8
• Molecular Formula: C8H11 I N2 O2 S
• Molecular Weight: 326.15
• DSSTox Substance ID: DTXSID70444533
• Wikidata: Q82262692
• Mol file: 151140-66-8.mol

Synonyms:151140-66-8;4-Amino-3-iodo-N-methyl-benzenemethanesulfonamide;1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide;4-amino-3-iodo-N-methylbenzenemethanesulfonamide;SCHEMBL4347849;DTXSID70444533;RXEPUECCBQHJEV-UHFFFAOYSA-N;FT-0710905;(4-AMINO-3-IODOPHENYL)-N-METHYLMETHANESULFONAMIDE

Chemical Property of 1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide

Chemical Property:

• Boiling Point: 440.3±55.0 °C(Predicted)
• PKA: 10.94±0.40(Predicted)
• PSA: 80.57000
• Density: 1.848±0.06 g/cm3(Predicted)
• LogP: 2.97550
• Solubility.: Dichloromethane; Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 325.95860
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

4-Amino-3-iodo-N-methylbenzenemethanesulfonamide ^*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)N)I
• Uses: 4-Amino-3-iodo-N-methylbenzenemethanesulfonamide is an intermediate in synthesizing 1-(3-(2-(Dimethylamino)ethyl)-1-((5-((N-methylsulfamoyl)methyl)-1H-indol-3-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide (D471500), an impurity of Sumatriptan (S810000, Succinate Salt); a serotonin 5HT1-receptor agonist.

Technology Process of 1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide

There total 3 articles about 1-(4-Amino-3-iodophenyl)-N-methylmethanesulfonamide 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: 85.0%

→ 4-Amino-3-iodo-N-methyl-benzenemethanesulfonamide (151140-66-8)

Guidance literature:

Reference yield:

sodium thiosulfate + 1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7) → 4-Amino-3-iodo-N-methyl-benzenemethanesulfonamide (151140-66-8)

Guidance literature:

With Iodine monochloride; In hexane; ethyl acetate; acetonitrile;

Reference yield:

1-(4-aminophenyl)-N-methylmethanesulfonamide (109903-35-7) → 4-Amino-3-iodo-N-methyl-benzenemethanesulfonamide (151140-66-8)

Guidance literature:

With Iodine monochloride; calcium carbonate; In methanol; for 16h; Ambient temperature;

DOI:10.1021/jm9805687

upstream raw materials:

1-(4-aminophenyl)-N-methylmethanesulfonamide