2,5-DIMETHYL-1-(3-(TRIFLUOROMETHYL)-PHENYL)PYRROLE-3-CARBOXALDEHYDE, 99

Base Information

• Chemical Name: 2,5-DIMETHYL-1-(3-(TRIFLUOROMETHYL)-PHENYL)PYRROLE-3-CARBOXALDEHYDE, 99
• CAS No.: 207233-99-6
• Molecular Formula: C14H12F3NO
• Molecular Weight: 267.2464
• Hs Code.: 2933990090
• Mol file: 207233-99-6.mol

Synonyms:2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde;2,4-DIMETHYL-3-HEPTANOL,THREO + ERYTHRO;

Chemical Property of 2,5-DIMETHYL-1-(3-(TRIFLUOROMETHYL)-PHENYL)PYRROLE-3-CARBOXALDEHYDE, 99

Chemical Property:

• Vapor Pressure: 4.53E-05mmHg at 25°C
• Melting Point: 103-105oC(lit.)
• Boiling Point: 350°Cat760mmHg
• PKA: -5.93±0.70(Predicted)
• Flash Point: 165.5°C
• PSA: 22.00000
• Density: 1.2g/cm³
• LogP: 3.92540

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,5-DIMETHYL-1-(3-(TRIFLUOROMETHYL)-PHENYL)PYRROLE-3-CARBOXALDEHYDE, 99

There total 3 articles about 2,5-DIMETHYL-1-(3-(TRIFLUOROMETHYL)-PHENYL)PYRROLE-3-CARBOXALDEHYDE, 99 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: 87.0%

2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole (570-04-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbaldehyde (207233-99-6)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.333333h; Inert atmosphere;

2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.3390/molecules25071668

Reference yield:

2,5-hexanedione (110-13-4) → 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbaldehyde (207233-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: silica gel supported p-toluenesulfonic acid / 180 °C / Microwave irradiation

2: trichlorophosphate / 3 h / 100 °C / Cooling with ice; Inert atmosphere

With trichlorophosphate;

DOI:10.1016/j.ejmech.2015.08.044

Reference yield:

3-trifluoromethylaniline (98-16-8) → 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbaldehyde (207233-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: silica gel supported p-toluenesulfonic acid / 180 °C / Microwave irradiation

2: trichlorophosphate / 3 h / 100 °C / Cooling with ice; Inert atmosphere

With trichlorophosphate;

DOI:10.1016/j.ejmech.2015.08.044

upstream raw materials:

2,5-hexanedione

3-trifluoromethylaniline

2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole

N,N-dimethyl-formamide

Downstream raw materials:

C₂₂H₂₁F₃N₂O₃

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