Fcmkvcioajdyfu-uhfffaoysa-N

Base Information

• Chemical Name: Fcmkvcioajdyfu-uhfffaoysa-N
• CAS No.: 175205-25-1
• Molecular Formula: C9H7 F3 N2 O3
• Molecular Weight: 248.1593
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70694137
• Mol file: 175205-25-1.mol

Synonyms:SCHEMBL9265165;DTXSID70694137;FCMKVCIOAJDYFU-UHFFFAOYSA-N;CID 53395409;FT-0612701

Chemical Property of Fcmkvcioajdyfu-uhfffaoysa-N

Chemical Property:

• Melting Point: 148-152°C
• Refractive Index: 1.497
• PSA: 70.92000
• Density: 1.429g/cm³
• LogP: 2.05670
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 248.04087658
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

99%min ^*data from raw suppliers

2-ISONITROSO-4'-(TRIFLUOROMETHOXY)ACETANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)C=NO)OC(F)(F)F

Technology Process of Fcmkvcioajdyfu-uhfffaoysa-N

There total 1 articles about Fcmkvcioajdyfu-uhfffaoysa-N 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: 90.0%

chloral hydrate (302-17-0) + 4-(trifluoromethoxy)aniline (461-82-5) → 2-hydroxylmino-N-(4-trifluoromethoxy-phenyl)-acetamide (175205-25-1)

Guidance literature:

4-(trifluoromethoxy)aniline; With hydrogenchloride; sodium sulfate; In ethanol; water;

chloral hydrate; In ethanol; water;

With hydroxylamine hydrochloride; In ethanol; water; Reflux;

DOI:10.1016/j.bmc.2010.01.011

Reference yield: 46.0%

2-hydroxylmino-N-(4-trifluoromethoxy-phenyl)-acetamide (175205-25-1) → 5-trifluoromethoxy-1H-indole-2,3-dione (169037-23-4)

Guidance literature:

With sulfuric acid; at 100 ℃;

DOI:10.1016/j.bmc.2010.01.011

upstream raw materials:

chloral hydrate

4-(trifluoromethoxy)aniline

Downstream raw materials:

5-trifluoromethoxy-1H-indole-2,3-dione

Refernces

• 1、 Tojo, Takashi,Spears, Glen W,Tsuji, Kiyoshi,Nishimura, Hiroaki,Ogino, Takashi,Seki, Nobuo,Sugiyama, Aiko,Matsuo, Masaaki. "Quinoline-3-carbothioamides and related compounds as novel immunomodulating agents". . p. 2427 - 2430. Retrieved 2007/10/03.