1-(Methanesulfonylmethyl)-3-nitrobenzene

Base Information

• Chemical Name: 1-(Methanesulfonylmethyl)-3-nitrobenzene
• CAS No.: 261924-46-3
• Molecular Formula: C8H9NO4S
• Molecular Weight: 215.23
• DSSTox Substance ID: DTXSID90591558
• Wikidata: Q82485348

Synonyms:261924-46-3;1-(Methanesulfonylmethyl)-3-nitrobenzene;1-(methylsulfonylmethyl)-3-nitrobenzene;1-((Methylsulfonyl)methyl)-3-nitrobenzene;Benzene, 1-[(methylsulfonyl)methyl]-3-nitro-;1-methanesulfonylmethyl-3-nitro-benzene;1-[(Methylsulfonyl)methyl]-3-nitrobenzene;SCHEMBL1016551;SCHEMBL19220492;DTXSID90591558;NDFOSCHZAAFGGU-UHFFFAOYSA-N;1-methylsulfonylmethyl-3-nitrobenzene;MFCD28369559;BS-22155;1-[(Methanesulfonyl)methyl]-3-nitrobenzene;DB-103016;G67858

Chemical Property of 1-(Methanesulfonylmethyl)-3-nitrobenzene

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of 1-(Methanesulfonylmethyl)-3-nitrobenzene

There total 10 articles about 1-(Methanesulfonylmethyl)-3-nitrobenzene 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: 94.0%

sodium methansulfinate (20277-69-4) + 1-bromomethyl-3-nitrobenzene (3958-57-4) → 1-(methylsulfonylmethyl)-3-nitrobenzene (261924-46-3)

Guidance literature:

In ethanol; at 80 ℃; for 2h;

DOI:10.1039/d0md00074d

Reference yield: 85.0%

methanesulfonic acid sodium salt (2386-57-4) + 1-bromomethyl-3-nitrobenzene (3958-57-4) → 1-(methylsulfonylmethyl)-3-nitrobenzene (261924-46-3)

Guidance literature:

In ethanol; for 4h; Inert atmosphere; Reflux;

Reference yield: 68.37%

1-[(methylsulfanyl)methyl]-3-nitrobenzene (51392-54-2) → 1-(methylsulfonylmethyl)-3-nitrobenzene (261924-46-3)

Guidance literature:

With Oxone; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

upstream raw materials:

sodium methansulfinate

3-Nitrobenzyl chloride

benzyl-methyl sulfone

nitric acid

Downstream raw materials:

3-((methylsulfonyl)methyl)aniline

3-nitrobenzoic acid

4-(4-fluoro-2-methoxyphenyl)-N-{3-[(methylsulfonyl)methyl]-phenyl}-1,3,5-triazin-2-amine

C₂₁H₂₀FN₃O₃S

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