3-(Trifluoromethoxy)benzohydrazide

Base Information

• Chemical Name: 3-(Trifluoromethoxy)benzohydrazide
• CAS No.: 321195-88-4
• Molecular Formula: C8H7 F3 N2 O2
• Molecular Weight: 220.151
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID60396618
• Wikidata: Q82197415
• Mol file: 321195-88-4.mol

Synonyms:3-(trifluoromethoxy)benzohydrazide;321195-88-4;3-(Trifluoromethoxy)benzhydrazide;3-(Trifluoromethoxy)benzoic acid hydrazide;SCHEMBL679553;DTXSID60396618;MFCD03425698;AKOS015853109;SB86383;3-Trifluoromethoxybenzoic acid hydrazide;3-trifluoromethoxy-benzoic acid hydrazide;CS-0333052;FT-0676579;EN300-6221684;A875708

Chemical Property of 3-(Trifluoromethoxy)benzohydrazide

Chemical Property:

• Melting Point: 94-96°C
• Refractive Index: 1.495
• PKA: 11.74±0.10(Predicted)
• PSA: 64.35000
• Density: 1.399g/cm³
• LogP: 2.27990
• Storage Temp.: Store Cold
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.04596196
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethoxy)benzhydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethoxy)benzohydrazide

There total 3 articles about 3-(Trifluoromethoxy)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: 96.0%

ethyl 3-(trifluoromethoxy)benzoate (677713-01-8) → 3-(trifluoromethoxy)benzohydrazide (321195-88-4)

Guidance literature:

With hydrazine hydrate; In ethanol; for 16h; Reflux;

Reference yield: 89.0%

3-trifluoromethoxybenzoic acid methyl ester (148438-00-0) → 3-(trifluoromethoxy)benzohydrazide (321195-88-4)

Guidance literature:

With hydrazine hydrate; In methanol; Reflux;

DOI:10.1021/acs.jmedchem.9b01004

Reference yield:

3-(trifluoromethoxy)benzoic acid (1014-81-9) → 3-(trifluoromethoxy)benzohydrazide (321195-88-4)

Guidance literature:

upstream raw materials:

3-(trifluoromethoxy)benzoic acid

ethyl 3-(trifluoromethoxy)benzoate

3-trifluoromethoxybenzoic acid methyl ester

Downstream raw materials:

3-trifluoromethoxybenzoic acid [1-(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazide

C₁₅H₁₀ClF₃N₄O₂

C₁₅H₁₀ClF₃N₄O₂

C₁₅H₁₀ClF₃N₄O₂

Refernces

• 1、 -. "TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS". . . Retrieved 2013/03/26.
• 2、 -. "Triazole derivatives". . . Retrieved 2011/03/17.