Benzaldehyde, 2,6-difluoro-, oxime

Base Information

• Chemical Name: Benzaldehyde, 2,6-difluoro-, oxime
• CAS No.: 19064-16-5
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID501296176
• Mol file: 19064-16-5.mol

Synonyms:Maybridge4_002936;DTXSID501296176;Benzaldehyde, 2,6-difluoro-, oxime;AKOS017263796;FT-0637785;FT-0653045

Chemical Property of Benzaldehyde, 2,6-difluoro-, oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.628
• Boiling Point: 197.4 °C at 760 mmHg
• Flash Point: 73.2 °C
• PSA: 32.59000
• Density: 1.26 g/cm³
• LogP: 1.77290
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

2,6-DifluorobenzenecarbaldehydeOxime ^*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: C1=CC(=C(C(=C1)F)C=NO)F

Technology Process of Benzaldehyde, 2,6-difluoro-, oxime

There total 5 articles about Benzaldehyde, 2,6-difluoro-, 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: 99.1%

2,6-difluorobenzaldehyde (437-81-0) → 2,6-difluoro-benzaldehyde oxime (19064-16-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 0 - 90 ℃; for 4h;

Reference yield: 99.0%

→ 2,6-difluoro-benzaldehyde oxime (19064-16-5)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

1,3-Difluorobenzene (372-18-9) → 2,6-difluoro-benzaldehyde oxime (19064-16-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / NaNH₂, NH₃ / 1.) -33 deg C, 0.5 h, 2.) 3 h

2: 99 percent / TsOH / benzene / 10 h / Heating

3: 1.) O₃, 2.) NH₂OH*HCl / 1.) MeOH, 0 deg C, 2.) 0 deg C, 30 min; reflux

With hydroxylamine hydrochloride; ammonia; toluene-4-sulfonic acid; ozone; sodium amide; In benzene;

upstream raw materials:

2,6-Difluoro-β,β-dimethylstyrene

2,6-difluorobenzaldehyde

1,3-Difluorobenzene

1-(2-Methyl-2-propen-1-yl)-2,6-difluorobenzene

Downstream raw materials:

2-(4-((5-cyclopropyl-3-(2,6-difluorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)benzo[d]thiazole-6-carboxylic acid

Refernces

• 1、 Chai, Xiaoyun,Ding, Zichao,Hao, Yumeng,Jiang, Yuanying,Jin, Yongsheng,Ni, Tingjunhong,Wang, Ruilian,Wang, Ruina,Wang, Ting,Xie, Fei,Yu, Shichong,Zhang, Dazhi. "Design, synthesis, and in vitro evaluation of novel triazole analogues featuring isoxazole moieties as antifungal agents". supporting information. . Retrieved 2020/06/17.
• 2、 Xie, Fei,Ni, Tingjunhong,Zhao, Jing,Pang, Lei,Li, Ran,Cai, Zhan,Ding, Zichao,Wang, Ting,Yu, Shichong,Jin, Yongsheng,Zhang, Dazhi,Jiang, Yuanying. "Design, synthesis, and in vitro evaluation of novel antifungal triazoles". supporting information. p. 2171 - 2173. Retrieved 2017/04/28.