4-Nitro-3-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Nitro-3-(trifluoromethyl)benzaldehyde
• CAS No.: 101066-57-3
• Molecular Formula: C8H4F3NO3
• Molecular Weight: 219.12
• Hs Code.: 2913000090
• Mol file: 101066-57-3.mol

Synonyms:3-trifluoromethyl-4-nitrobenzaldehyde; 4-nitro-3-trifluoromethylbenzaldehyde

Chemical Property of 4-Nitro-3-(trifluoromethyl)benzaldehyde

Chemical Property:

• Boiling Point: 291.9±40.0 °C(Predicted)
• PSA: 62.89000
• Density: 1.496±0.06 g/cm3(Predicted)
• LogP: 2.94930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-Nitro-3-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Nitro-3-(trifluoromethyl)benzaldehyde

There total 3 articles about 4-Nitro-3-(trifluoromethyl)benzaldehyde 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:

(4-nitro-3-(trifluoromethyl)phenyl)methanol (936234-83-2) → 4-nitro-3-(trifluoromethyl)benzaldehyde (101066-57-3)

Guidance literature:

(4-nitro-3-(trifluoromethyl)phenyl)methanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 4.41667h;

With triethylamine; In dichloromethane; for 0.75h;

Reference yield:

dichloromethane (75-09-2) + 2-nitrobenzotrifluoride (384-22-5) → 4-nitro-3-(trifluoromethyl)benzaldehyde (101066-57-3)

Guidance literature:

dichloromethane; With n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; for 0.25h; Inert atmosphere;

2-nitrobenzotrifluoride; In tetrahydrofuran; hexane; at -100 ℃; for 0.00833333h; regioselective reaction; Further stages; Inert atmosphere;

DOI:10.1021/acs.orglett.9b01676

Reference yield:

4-nitro-3-(trifluoromethyl)benzoic acid (320-38-7) → 4-nitro-3-(trifluoromethyl)benzaldehyde (101066-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diborane / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

2.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1.75 h / -78 °C / Inert atmosphere

2.2: 0.75 h / -78 °C / Inert atmosphere

With oxalyl dichloride; dimethyl sulfoxide; diborane; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.jmedchem.7b01438

upstream raw materials:

(4-nitro-3-(trifluoromethyl)phenyl)methanol

4-nitro-3-(trifluoromethyl)benzoic acid

dichloromethane

2-nitrobenzotrifluoride

Downstream raw materials:

[(3S)-3-(N-benzyloxycarbonyl)amino-3-methoxycarbonylpropyl][(4-nitro-3-trifluoromethylphenyl)hydroxymethyl]phosphinic acid

[(3S)-3-amino-3-carboxypropyl][(4-nitro-3-trifluoromethylphenyl)hydroxymethyl]phosphinic acid

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