(NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine

Base Information

• Chemical Name: (NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine
• CAS No.: 431-40-3
• Molecular Formula: C3H4 F3 N O
• Molecular Weight: 127.066
• Hs Code.: 2928000090
• European Community (EC) Number: 675-570-2
• Mol file: 431-40-3.mol

Synonyms:431-40-3;1,1,1-trifluoroacetone oxime;(NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine;1,1,1-Trifluoropropan-2-one oxime;1,1,1-Trifluoro-propan-2-one oxime;SCHEMBL283641;SCHEMBL283642;QBGAUYNVSUJLTH-FARCUNLSSA-N;1,1,1-Trifluoropropan-2-oneoxime;MFCD04038363;AKOS006228421;AKOS025310042;FS-4219

Chemical Property of (NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine

Chemical Property:

• Vapor Pressure: 31.3mmHg at 25°C
• Refractive Index: 1.343
• Boiling Point: 96.3°Cat760mmHg
• Flash Point: 12°C
• PSA: 32.59000
• Density: 1.32g/cm³
• LogP: 1.39880
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 127.02449824
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trifluoroacetoneoxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C(F)(F)F
• Isomeric SMILES: C/C(=N\O)/C(F)(F)F

Technology Process of (NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine

There total 1 articles about (NE)-N-(1,1,1-trifluoropropan-2-ylidene)hydroxylamine 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: 75.0%

1,1,1-trifluoro-2-propanone (421-50-1) → 1,1,1-trifluoro-propanone-oxime (431-40-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In water; at 0 ℃; for 66h; Reflux;

DOI:10.1002/chem.201303774

Reference yield: 98.0%

1,1,1-trifluoro-propanone-oxime (431-40-3) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With hydrogen; In methanol; at 90 ℃; under 1500.15 Torr; Autoclave; Large scale;

DOI:10.14233/ajchem.2015.17863

Reference yield:

1,1,1-trifluoro-propanone-oxime (431-40-3) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → C15H13F3NOP

Guidance literature:

With triethylamine; In hexane; dichloromethane; at -50 - 5 ℃;

DOI:10.1016/S0040-4039(00)01894-3

upstream raw materials:

1,1,1-trifluoro-2-propanone

Downstream raw materials:

2,2,2-Trifluoro-1-methylethanamine

C₁₀H₁₀F₃NO₃S

Refernces

• 1、 Jiang,Cheng,Yuan. "Economical and practical strategies for synthesis of α-trifluoromethylated amines". . p. 2406 - 2408. Retrieved 2016/05/19.