1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene
• CAS No.: 849035-67-2
• Molecular Formula: C₈H₈BrNO₄S
• Molecular Weight: 294.126
• Hs Code.: 2904909090
• European Community (EC) Number: 674-388-0
• DSSTox Substance ID: DTXSID70375515
• Wikidata: Q82164069
• Mol file: 849035-67-2.mol

Synonyms:1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene;849035-67-2;1-(bromomethyl)-4-methylsulfonyl-2-nitrobenzene;1-bromomethyl-4-methylsulfonyl-2-nitrobenzene;1-(bromomethyl)-4-(methylsulphonyl)-2-nitrobenzene;DTXSID70375515;ZIB03567;MFCD04037930;AKOS015836005;FT-0676962;1-(bromomethyl)-4-methanesulfonyl-2-nitrobenzene;1-(Bromomethyl)-4-(methanesulfonyl)-2-nitrobenzene

Chemical Property of 1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene

Chemical Property:

• PSA: 88.34000
• LogP: 3.49720
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 292.93574
• Heavy Atom Count: 15
• Complexity: 332

Purity/Quality:

97% ^*data from raw suppliers

1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Bromomethyl)-4-(methylsulfonyl)-2-nitrobenzene

There total 3 articles about 1-(Bromomethyl)-4-(methylsulfonyl)-2-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:

Methyl p-tolyl sulfone (3185-99-7) → 2-nitro-4-(methylsulphonyl)benzyl bromide (849035-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 4 h / Heating

2: HNO₃ / H₂O / Ambient temperature

With N-Bromosuccinimide; Perbenzoic acid; nitric acid; In tetrachloromethane; water;

DOI:10.1016/S0040-4020(01)91141-X

Reference yield:

4-(methylsulfonyl)benzyl bromide (53606-06-7) → 2-nitro-4-(methylsulphonyl)benzyl bromide (849035-67-2)

Guidance literature:

With nitric acid; In water; Ambient temperature;

DOI:10.1016/S0040-4020(01)91141-X

Reference yield:

1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene (1671-49-4) → 2-nitro-4-(methylsulphonyl)benzyl bromide (849035-67-2)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; Inert atmosphere; Reflux;

DOI:10.1021/jacs.0c04286

upstream raw materials:

4-(methylsulfonyl)benzyl bromide

Methyl p-tolyl sulfone

1‐methyl‐4‐(methylsulfonyl)‐2‐nitrobenzene

Downstream raw materials:

1-methanesulfonyl-3-nitro-benzene

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