3'-(Trifluoromethyl)acetophenone oxime

Base Information

• Chemical Name: 3'-(Trifluoromethyl)acetophenone oxime
• CAS No.: 99705-50-7
• Molecular Formula: C9H8F3NO
• Molecular Weight: 203.164
• Hs Code.: 2928000090
• European Community (EC) Number: 619-454-1
• Mol file: 99705-50-7.mol

Synonyms:3'-(TRIFLUOROMETHYL)ACETOPHENONE OXIME;99705-50-7;3-(Trifluoromethyl)acetophenone oxime;1-(3-(Trifluoromethyl)phenyl)ethanone oxime;1-[3-(trifluoromethyl)phenyl]ethanone oxime;(E)-1-(3-(Trifluoromethyl)phenyl)ethanone oxime;226951-26-4;SCHEMBL3628848;QQGVWMIRCZEUBB-AWNIVKPZSA-N;3-trifluoromethylacetophenone oxime;MFCD00085177;AKOS015852682;AM20050037;CS-0376674;(E)-1-(3-(Trifluoromethyl)phenyl)ethanoneoxime

Chemical Property of 3'-(Trifluoromethyl)acetophenone oxime

Chemical Property:

• Vapor Pressure: 0.00845mmHg at 25°C
• Melting Point: 83-86 °C
• Refractive Index: 1.464
• Boiling Point: 255.4 °C at 760 mmHg
• PKA: 11.14±0.70(Predicted)
• Flash Point: 108.2 °C
• PSA: 32.59000
• Density: 1.23 g/cm³
• LogP: 2.90360
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 203.05579836
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

3''-(Trifluoromethyl)acetophenoneOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(=NO)C1=CC(=CC=C1)C(F)(F)F
• Isomeric SMILES: C/C(=N\O)/C1=CC(=CC=C1)C(F)(F)F
• Uses: m-(Trifluoromethyl)acetophenone Oxime is a reactant in the synthesis of Trifloxystrobin (T778900) which is a broad-spectrum foliar fungicide used in plant protection.

Technology Process of 3'-(Trifluoromethyl)acetophenone oxime

There total 3 articles about 3'-(Trifluoromethyl)acetophenone oxime 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%

3'-(trifluoromethyl)acetophenone (349-76-8) → 1-[3-(trifluoromethyl)phenyl]ethanone oxime (99705-50-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; at 95 ℃;

DOI:10.1021/acs.orglett.6b03155

Reference yield:

Acetaldehyde oxime (107-29-9) + 3-trifluoromethylaniline (98-16-8) → 1-[3-(trifluoromethyl)phenyl]ethanone oxime (99705-50-7)

Guidance literature:

3-trifluoromethylaniline; With sulfuric acid; sodium nitrite; In water; at -5 - 0 ℃; for 0.5h;

Acetaldehyde oxime; With copper diacetate; sodium acetate; sodium sulfite; In water; at 20 ℃; for 0.5h;

With hydroxylamine; potassium carbonate; In water; for 2h; Further stages.; Heating;

DOI:10.1016/j.tet.2004.03.056

Reference yield:

→ 1-[3-(trifluoromethyl)phenyl]ethanone oxime (99705-50-7)

Guidance literature:

Entspr. Keton, NH2OH;

DOI:10.1021/jf60165a008

upstream raw materials:

Acetaldehyde oxime

3-trifluoromethylaniline

3'-(trifluoromethyl)acetophenone

Downstream raw materials:

trifloxystrobin

N-{1-[3-(trifluoromethyl)phenyl]vinyl}acetamide

Refernces

• 1、 Cao, Hao-Qiang,Liu, Hao-Nan,Liu, Zhe-Yuan,Ma, Jun-An,Qiao, Bao-Kun,Zhang, Fa-Guang. "Direct Enamido C(sp2)?H Diphosphorylation Enabled by a PCET-Triggered Double Radical Relay: Access to gem-Bisphosphonates". supporting information. p. 5515 - 5521. Retrieved 2020/04/27.
• 2、 Xiao, Fuhong,Yuan, Shanshan,Huang, Huawen,Zhang, Feng,Deng, Guo-Jun. "Copper-Catalyzed Three-Component Domino Cyclization for the Synthesis of 4-Aryl-5-(arythio)-2-(trifluoromethyl)oxazoles". supporting information. p. 8533 - 8536. Retrieved 2019/10/17.