2-Methoxy-5-methylsulfonylaniline

Base Information

• Chemical Name: 2-Methoxy-5-methylsulfonylaniline
• CAS No.: 20945-70-4
• Molecular Formula: C8H11NO3S
• Molecular Weight: 201.246
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID80374857
• Wikidata: Q82163430
• Mol file: 20945-70-4.mol

Synonyms:20945-70-4;2-methoxy-5-methylsulfonylaniline;2-Methoxy-5-(methylsulfonyl)aniline;5-METHANESULFONYL-2-METHOXYANILINE;Benzenamine, 2-methoxy-5-(methylsulfonyl)-;SCHEMBL3344604;DTXSID80374857;VHPBBGKGMPAVPE-UHFFFAOYSA-N;2-methoxy-5-methylsulfonyl aniline;2-Methoxy-5-methylsulphonyl aniline;MFCD03407993;VS-0353;CS-0205006;EN300-197444;A912081

Chemical Property of 2-Methoxy-5-methylsulfonylaniline

Chemical Property:

• PSA: 77.77000
• LogP: 2.34290
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

5-Methanesulfonyl-2-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)C)N

Technology Process of 2-Methoxy-5-methylsulfonylaniline

There total 2 articles about 2-Methoxy-5-methylsulfonylaniline 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) → 2-methoxy-5-(methylsulfonyl)aniline (20945-70-4)

Guidance literature:

With diethyl ether; beim Hydrieren des Reaktionsprodukts an Nickel in Aethanol;

DOI:10.2165/00044011-200222050-00008

Reference yield:

→ 2-methoxy-5-(methylsulfonyl)aniline (20945-70-4)

Guidance literature:

nicht ersichtlich;

Reference yield: 58.0%

2,4-dichloropyridine (26452-80-2) + 2-methoxy-5-(methylsulfonyl)aniline (20945-70-4) → 4-chloro-N-(2-methoxy-5-methylsulfonylphenyl)pyridin-2-amine

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 0.5h; regioselective reaction; Microwave irradiation; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2013.10.035

upstream raw materials:

diazomethane

Downstream raw materials:

2-Iodo-4-methanesulfonyl-1-methoxy-benzene

2-iodo-4-(methylsulfonyl)phenol

2-Bromo-6-iodo-4-methanesulfonyl-phenol

1-hydroxy-2-amino-4-methylsulphonyl-benzene