1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene
• CAS No.: 89303-43-5
• Molecular Formula: C₁₄H₁₀F₃NO₄S
• Molecular Weight: 345.299
• DSSTox Substance ID: DTXSID80532410
• Wikidata: Q82404983
• Mol file: 89303-43-5.mol

Synonyms:89303-43-5;DTXSID80532410;1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene

Chemical Property of 1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 345.02826346
• Heavy Atom Count: 23
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Technology Process of 1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene

There total 4 articles about 1-[(Benzenesulfonyl)methyl]-4-nitro-2-(trifluoromethyl)benzene 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:

chloromethyl phenyl sulfone (7205-98-3) + 3-trifluoromethylnitrobenzene (98-46-4) → 1-Benzenesulfonylmethyl-2-nitro-4-trifluoromethyl-benzene (89303-53-7) + 1-Benzenesulfonylmethyl-4-nitro-2-trifluoromethyl-benzene (89303-43-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 1h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1021/jo00183a003

Reference yield:

4-(trifluoromethyl)benzylic alcohol (349-95-1) → 1-Benzenesulfonylmethyl-4-nitro-2-trifluoromethyl-benzene (89303-43-5)

Guidance literature:

Multi-step reaction with 4 steps

1: cc. hydrobromic acid

2: HNO₃ / H₂O / Ambient temperature

3: dimethylsulfoxide / Ambient temperature

4: KOH, diluted HCl / dimethylsulfoxide / 0.5 h / 20 - 25 °C

With hydrogenchloride; potassium hydroxide; hydrogen bromide; nitric acid; In water; dimethyl sulfoxide;

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

Reference yield:

1-(bromomethyl)-4-(trifluoromethyl)-2-nitrobenzene (162333-02-0) → 1-Benzenesulfonylmethyl-4-nitro-2-trifluoromethyl-benzene (89303-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide / Ambient temperature

2: KOH, diluted HCl / dimethylsulfoxide / 0.5 h / 20 - 25 °C

With hydrogenchloride; potassium hydroxide; In dimethyl sulfoxide;

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

upstream raw materials:

chloromethyl phenyl sulfone

3-trifluoromethylnitrobenzene

4-(trifluoromethyl)benzylic alcohol

1-(bromomethyl)-4-(trifluoromethyl)-2-nitrobenzene