2-(Trifluoromethoxy)benzohydrazide

Base Information

• Chemical Name: 2-(Trifluoromethoxy)benzohydrazide
• CAS No.: 175277-19-7
• Molecular Formula: C8H7 F3 N2 O2
• Molecular Weight: 220.151
• Hs Code.: 2928000090
• European Community (EC) Number: 630-309-1
• DSSTox Substance ID: DTXSID30380423
• Wikidata: Q82170648
• Mol file: 175277-19-7.mol

Synonyms:2-(trifluoromethoxy)benzohydrazide;175277-19-7;2-(Trifluoromethoxy)benzoic acid hydrazide;2-trifluoromethoxybenzhydrazide;Benzoic acid,2-(trifluoromethoxy)-, hydrazide;Maybridge1_008807;SCHEMBL376957;HMS566I07;2-(Trifluoromethoxy)benzhydrazide;DTXSID30380423;MFCD00204180;AKOS015910458;PS-6807;CS-0081140;FT-0608939;2-(TRIFLUOROMETHOXY)BENZOICACIDHYDRAZIDE;A811999

Chemical Property of 2-(Trifluoromethoxy)benzohydrazide

Chemical Property:

• Melting Point: 103 °C
• Refractive Index: 1.495
• Boiling Point: 103-105°C
• PKA: 11.77±0.10(Predicted)
• PSA: 64.35000
• Density: 1.399 g/cm³
• LogP: 2.27990
• XLogP3: 1.5
• 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:

98.5% ^*data from raw suppliers

2-(Trifluoromethoxy)benzoic acid hydrazide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-36-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trifluoromethoxy)benzohydrazide

There total 5 articles about 2-(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: 86.0%

2-(trifluoromethoxy)benzoic acid (1979-29-9) → 2-(trifluoromethoxy)benzoic acid hydrazide (175277-19-7)

Guidance literature:

2-(trifluoromethoxy)benzoic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h; Inert atmosphere;

With hydrazine; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1002/cmdc.201900618

Reference yield: 79.1%

methyl 2-(trifluoromethoxy)benzoate → 2-(trifluoromethoxy)benzoic acid hydrazide (175277-19-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

Reference yield:

C14H9F3O3 → 2-(trifluoromethoxy)benzoic acid hydrazide (175277-19-7)

Guidance literature:

With hydrazine monohydrate; In methanol; for 0.5h; Reflux;

DOI:10.3906/kim-2107-7

upstream raw materials:

2-(trifluoromethoxy)benzoic acid

2-trifluoromethoxy-benzoyl chloride

Downstream raw materials:

N-Cyclopropyl-2-{[2-(trifluoromethoxy)phenyl]carbonyl}hydrazinecarboxamide

C₂₄H₂₁F₆N₅O₄

C₂₄H₂₁F₆N₅O₄

2-[({4-Cyclopropyl-5-oxo-3-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide

Refernces

• 1、 Bolli, Martin H.,Boss, Christoph,Brotschi, Christine,Gatfield, John,Heidmann, Bibia,Jenck, Francois,Roch, Catherine,Sifferlen, Thierry,Treiber, Alexander,Williams, Jodi T.. "From Oxadiazole to Triazole Analogues: Optimization toward a Dual Orexin Receptor Antagonist with Improved in vivo Efficacy in Dogs". supporting information. . Retrieved 2020/01/25.
• 2、 -. "AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS". Page/Page column 53. . Retrieved 2014/09/29.