2-Propanimine, 1,1,1,3,3,3-hexafluoro-

Base Information

• Chemical Name: 2-Propanimine, 1,1,1,3,3,3-hexafluoro-
• CAS No.: 1645-75-6
• Molecular Formula: C3H F6 N
• Molecular Weight: 165.038
• European Community (EC) Number: 216-705-3
• DSSTox Substance ID: DTXSID8061844
• Nikkaji Number: J195.281A
• Wikidata: Q81985293
• Mol file: 1645-75-6.mol

Synonyms:1645-75-6;Hexafluoroacetone imine;2-Propanimine, 1,1,1,3,3,3-hexafluoro-;1,1,1,3,3,3-hexafluoropropan-2-imine;Hexafluoroisopropylideneimine;Hexafluoroacetoneimine;EINECS 216-705-3;1,1,1,3,3,3-Hexafluoroisopropylideneamine;1,1,1,3,3,3-hexafluoro-2-propanimine;hexafluoropropan-2-imine;Hexafluoro-2-propanimine;C3HF6N;SCHEMBL5115548;DTXSID8061844;C3-H-F6-N;HEXAFLUOROISOPROPYLIDENEAMINE;MFCD00040843;AKOS006228792;FT-0626985;[2,2,2-trifluoro-1-(trifluoromethyl)-ethylidene]-amine

Chemical Property of 2-Propanimine, 1,1,1,3,3,3-hexafluoro-

Chemical Property:

• Vapor Pressure: 492mmHg at 25°C
• Melting Point: -47°C
• Boiling Point: 37.1 °C at 760 mmHg
• PKA: -1.94±0.70(Predicted)
• Flash Point: °C
• PSA: 23.85000
• Density: 1.56 g/cm³
• LogP: 2.23050
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 165.00131801
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

Hexafluoroacetoneimine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 23-38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=N)(C(F)(F)F)C(F)(F)F

Technology Process of 2-Propanimine, 1,1,1,3,3,3-hexafluoro-

There total 6 articles about 2-Propanimine, 1,1,1,3,3,3-hexafluoro- 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: 34.0%

Di-tert-Butyl(amino)phosphan (17858-28-5) + Hexafluoroacetone (684-16-2) → bis(trifluoromethyl)ketimine (1645-75-6) + di-tert-butylphosphine oxide (684-19-5) + Di-tert-butylphosphinsaeure-<2,2,2-trifluor-1-(trifluormethyl)ethylester> (80281-17-0)

Guidance literature:

for 144h; Product distribution; Ambient temperature;

Reference yield:

Hexafluoroacetone (684-16-2) → bis(trifluoromethyl)ketimine (1645-75-6)

Guidance literature:

Multistep reaction; (i) NH₃, Py, (ii) POCl₃;

DOI:10.1021/jo01016a012

Reference yield:

(1-chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-dichloroboranyl-amine (27484-83-9) → bis(trifluoromethyl)ketimine (1645-75-6)

Guidance literature:

With water; byproducts: HCl,H3BO3;

DOI:10.1021/ic50086a062

upstream raw materials:

Hexafluoroacetone

Di-tert-Butyl(amino)phosphan

(1-chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-dichloroboranyl-amine

bis(hexafluoroisopropylideneamido)bis(trifluoromethyl)oxosulfur(VI)

Downstream raw materials:

2,2,2-trifluoro-1-(2-morpholin-4-yl-cyclohex-2-enyl)-1-trifluoromethyl-ethylamine

2-<2-Amino-perfluorpropyl-(2)>-cyclohexanon

4-Fluor-α,α-bis-(trifluormethyl)-benzylamin

4-Brom-α,α-bis-(trifluormethyl)-benzylamin

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