N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine

Base Information

• Chemical Name: N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine
• CAS No.: 117341-57-8
• Molecular Formula: C₃H₃BrF₃NO
• Molecular Weight: 205.962
• Hs Code.: 2928009090
• DSSTox Substance ID: DTXSID20382012
• Mol file: 117341-57-8.mol

Synonyms:3-Bromo-1,1,1-trifluoroacetone oxime;117341-57-8;N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine;2-Propanone,3-bromo-1,1,1-trifluoro-, oxime;3-bromo-1,1,1-trifluoropropan-2-one oxime;SCHEMBL828187;DTXSID20382012;MFCD08461589;FT-0676792;3-Bromo-1,1,1-trifluoro-propan-2-one oxime;(E)-3-bromo-1,1,1-trifluoropropan-2-one oxime

Chemical Property of N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine

Chemical Property:

• Vapor Pressure: 1.12mmHg at 25°C
• Refractive Index: 1.425
• Boiling Point: 162.3°Cat760mmHg
• Flash Point: 52°C
• PSA: 32.59000
• Density: 1.88g/cm³
• LogP: 1.77380
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.93501
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-1,1,1-trifluoroacetoneOxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=NO)C(F)(F)F)Br

Technology Process of N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine

There total 1 articles about N-(3-bromo-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: 51.0%

3-bromo-1,1,1-trifluoroacetone (431-35-6) → 3-bromo-1,1,1-trifluoropropan-2-one oxime (117341-57-8)

Guidance literature:

With hydroxylamine hydrochloride; In chloroform; water; for 24h; Heating;

DOI:10.1021/jo00027a058

Reference yield: 37.0%

potassium cyanide (151-50-8) + 3-bromo-1,1,1-trifluoropropan-2-one oxime (117341-57-8) → 3-(trifluoromethyl)isoxazole-5-amine (108655-63-6)

Guidance literature:

In methanol; at 20 ℃; for 3h;

Reference yield:

1-styrenyloxytrimethylsilane (13735-81-4) + 3-bromo-1,1,1-trifluoropropan-2-one oxime (117341-57-8) → 1,1,1-Trifluoro-2-(hydroxyimino)-5-phenylpentan-5-one (137496-14-1) + 1,1,1-Trifluoro-2-(hydroxyimino)-5-phenyl-5-(trimethylsiloxy)-4-pentene (137496-13-0,137515-60-7) + 6-Phenyl-5,6-dihydro-3-(trifluoromethyl)-6-(trimethylsiloxy)-4H-1,2-oxazine (137496-07-2)

Guidance literature:

With sodium carbonate; In various solvent(s); for 192h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1021/jo00027a058

upstream raw materials:

3-bromo-1,1,1-trifluoroacetone

Downstream raw materials:

1,1,1-Trifluoro-2-(hydroxyimino)-5-phenylpentan-5-one

1,1,1-Trifluoro-2-(hydroxyimino)-5-phenyl-5-(trimethylsiloxy)-4-pentene

6-Phenyl-5,6-dihydro-3-(trifluoromethyl)-6-(trimethylsiloxy)-4H-1,2-oxazine

3-(trifluoromethyl)isoxazole-5-amine