2-(Trifluoromethyl)benzohydrazide

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzohydrazide
• CAS No.: 344-95-6
• Molecular Formula: C8H7F3N2O
• Molecular Weight: 204.152
• Hs Code.: 2928000090
• European Community (EC) Number: 629-992-9
• DSSTox Substance ID: DTXSID20380513
• Wikidata: Q82170758
• Mol file: 344-95-6.mol

Synonyms:2-(trifluoromethyl)benzohydrazide;344-95-6;2-(Trifluoromethyl)benzoic acid hydrazide;2-(trifluoromethyl)benzhydrazide;Benzoic acid, 2-(trifluoromethyl)-, hydrazide;SCHEMBL1128084;DTXSID20380513;BCP30018;2-(trifluoromethyl)benzoic hydrazide;MFCD00221473;STK504236;AKOS000139068;PS-10332;CS-0149902;FT-0608958;D83591;A822255;2-(trifluoromethyl)benzoic acid hydrazide, AldrichCPR;2-(Trifluoromethyl)benzoic acid hydrazide pound>>Benzoic acid,2-(trifluoromethyl)-, hydrazide

Chemical Property of 2-(Trifluoromethyl)benzohydrazide

Chemical Property:

• Melting Point: 132 °C
• Refractive Index: 1.493
• PKA: 11.84±0.10(Predicted)
• PSA: 55.12000
• Density: 1.356 g/cm³
• LogP: 2.40010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Trifluoromethyl)benzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NN)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)benzohydrazide

There total 4 articles about 2-(Trifluoromethyl)benzohydrazide 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: 76.0%

2-trifluoromethyl-benzoic acid methyl ester (344-96-7) → 2-(trifluoromethyl)benzohydrazide (344-95-6)

Guidance literature:

With hydrazine hydrate; In methanol; at 85 ℃; for 14h;

DOI:10.1021/acs.jmedchem.8b01772

Reference yield: 68.73%

→ 2-(trifluoromethyl)benzohydrazide (344-95-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 25 ℃; for 2h;

Reference yield:

2-trifluoromethylbenzoyl chloride (312-94-7) → 2-(trifluoromethyl)benzohydrazide (344-95-6)

Guidance literature:

Multi-step reaction with 2 steps

2: N₂H₄

With hydrazine;

upstream raw materials:

ethyl ortho-α,α,α-trifluoromethylbenzoate

2-trifluoromethylbenzoyl chloride

2-trifluoromethyl-benzoic acid methyl ester

Downstream raw materials:

C₉H₆F₃N₂OS₂^(1-)*K⁽¹⁺⁾

3,5-dimethyl-1-(2-trifluoromethyl-benzoyl)-1H-pyrazole

3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-1,2,4-oxadiazole

Refernces

• 1、 -. "Pleuromutilin derivative with 1, 3, 4-oxadiazole side chain and preparation and application thereof". Paragraph 0055-0056; 0070; 0090; 0093; 0095; 0102. . Retrieved 2021/07/24.
• 2、 Kahl, Dylan J.,Hutchings, Kim M.,Lisabeth, Erika Mathes,Haak, Andrew J.,Leipprandt, Jeffrey R.,Dexheimer, Thomas,Khanna, Dinesh,Tsou, Pei-Suen,Campbell, Phillip L.,Fox, David A.,Wen, Bo,Sun, Duxin,Bailie, Marc,Neubig, Richard R.,Larsen, Scott D.. "5-Aryl-1,3,4-oxadiazol-2-ylthioalkanoic Acids: A Highly Potent New Class of Inhibitors of Rho/Myocardin-Related Transcription Factor (MRTF)/Serum Response Factor (SRF)-Mediated Gene Transcription as Potential Antifibrotic Agents for Scleroderma". . p. 4350 - 4369. Retrieved 2019/05/08.