2-(trifluoromethyl)-4,5-dihydro-1H-imidazole

Base Information

• Chemical Name: 2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
• CAS No.: 2794-20-9
• Molecular Formula: C4H5 F3 N2
• Molecular Weight: 138.092
• Hs Code.: 2933290090
• NSC Number: 82757
• DSSTox Substance ID: DTXSID30292456
• Wikidata: Q82030764
• Mol file: 2794-20-9.mol

Synonyms:2-(trifluoromethyl)-4,5-dihydro-1H-imidazole;2794-20-9;1H-Imidazole, 4,5-dihydro-2-(trifluoromethyl)-;NSC82757;DTXSID30292456;AJVDOFRZQWMSLK-UHFFFAOYSA-N;CAA79420;NSC-82757;AKOS005174460;2-(trifluormethyl)-4,5-dihydro-1H-imidazol

Chemical Property of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazole

Chemical Property:

• Vapor Pressure: 7.29mmHg at 25°C
• Boiling Point: 141.5°Cat760mmHg
• Flash Point: 39.4°C
• PSA: 24.39000
• Density: 1.5g/cm³
• LogP: 0.31480
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 138.04048265
• Heavy Atom Count: 9
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

2-(Trifluoromethyl)-4,5-dihydro-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C(F)(F)F

Technology Process of 2-(trifluoromethyl)-4,5-dihydro-1H-imidazole

There total 3 articles about 2-(trifluoromethyl)-4,5-dihydro-1H-imidazole 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: 80.0%

2,2,2-trifluoro-N-<2-<(triphenylphosphoranylidene)amino>ethyl>acetamide (85841-50-5) → 2-(trifluoromethyl)-2-imidazoline (2794-20-9) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

at 120 ℃; for 4h; under 0.05 Torr;

DOI:10.1016/S0040-4020(01)96459-2

Reference yield: 76.0%

2,4-diphenyl-2,4-bis(o-phenylenedioxy)-1,3-bis<2-(trifluoroacetamido)ethyl>-1,3,2λ5,4λ5-diazadiphosphetidine (88860-42-8) → phenylphosphonic acid mono(2-hydroxy-phenyl)ester (7282-99-7) + 2-(trifluoromethyl)-2-imidazoline (2794-20-9)

Guidance literature:

at 250 ℃; for 1h;

DOI:10.1016/S0040-4020(01)96459-2

Reference yield: 36.0%

3,4-dibromo-1,1,1-trifluoro-4-phenylbut-3-en-2-one + ethylenediamine (107-15-3,85404-18-8) → (E)-(1,2-dibromovinyl)benzene (27786-05-6) + 2-(trifluoromethyl)-2-imidazoline (2794-20-9)

Guidance literature:

at 20 ℃; for 12h;

DOI:10.1016/j.mencom.2014.11.009

upstream raw materials:

2,2,2-trifluoro-N-<2-<(triphenylphosphoranylidene)amino>ethyl>acetamide

2,4-diphenyl-2,4-bis(o-phenylenedioxy)-1,3-bis<2-(trifluoroacetamido)ethyl>-1,3,2λ⁵,4λ⁵-diazadiphosphetidine

ethylenediamine

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