1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)

Base Information

• Chemical Name: 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)
• CAS No.: 111185-41-2
• Molecular Formula: C6H6 F3 N O
• Molecular Weight: 165.115
• Hs Code.: 2933990090
• Mol file: 111185-41-2.mol

Synonyms:1H-Pyrrole,2,5-dihydro-1-(trifluoroacetyl)- (9CI);2,5-Dihydro-1-trifluoroacetyl-1H-pyrrole; N-Trifluoracetyl pyrroline; NSC340533

Chemical Property of 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)

Chemical Property:

• Boiling Point: 230.9±40.0 °C(Predicted)
• PKA: -1.82±0.20(Predicted)
• PSA: 20.31000
• Density: 1.367±0.06 g/cm3(Predicted)
• LogP: 0.88500

Purity/Quality:

97% ^*data from raw suppliers

1-(Trifluoroacetyl)-2,5-dihydro-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)

There total 5 articles about 1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI) 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: 100.0%

N,N-diallyl trifluoroacetamide (14618-49-6) → 1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone (111185-41-2)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; at 50 ℃;

DOI:10.1002/anie.200701326

Reference yield: 56.0%

2,5-dihydro-1H-pyrrole hydrochloride (63468-63-3) + trifluoroacetic anhydride (407-25-0) → 1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone (111185-41-2)

Guidance literature:

With triethylamine; In dichloromethane; for 1h; Ambient temperature;

Reference yield:

N-(tert-butoxycarbonyl)-3-pyrroline (73286-70-1) + trifluoroacetic anhydride (407-25-0) → 1-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone (111185-41-2)

Guidance literature:

N-(tert-butoxycarbonyl)-3-pyrroline; With trifluoroacetic acid; for 2h;

With pyridine; dmap; In dichloromethane; at 0 ℃; for 0.0833333h;

trifluoroacetic anhydride; In dichloromethane; at 0 - 25 ℃; for 16h;

DOI:10.1055/s-0037-1611553

upstream raw materials:

3-Pyrroline

trifluoroacetic anhydride

N,N-diallyl trifluoroacetamide

2,5-dihydro-1H-pyrrole hydrochloride

Downstream raw materials:

1-p-tolyl-4-trifluoroacetyl-piperazine

1-phenyl-4-trifluoroacetyl-piperazine

N-trifluoroacetyl,N-benzyl piperazine

2,2,2-trifluoro-1-pyrrolidin-1-ylethanone