4-(Trifluoromethoxy)benzohydrazide

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzohydrazide
• CAS No.: 175277-18-6
• Molecular Formula: C₈H₇F₃N₂O₂
• Molecular Weight: 220.151
• Hs Code.: 2928000090
• European Community (EC) Number: 630-312-8
• DSSTox Substance ID: DTXSID90380424
• Wikidata: Q82170650
• Mol file: 175277-18-6.mol

Synonyms:4-(trifluoromethoxy)benzohydrazide;175277-18-6;4-(TRIFLUOROMETHOXY)BENZOIC ACID HYDRAZIDE;4-Trifluoromethoxybenzhydrazide;Benzoic acid, 4-(trifluoromethoxy)-, hydrazide;Maybridge1_008763;Benzoic acid,4-(trifluoromethoxy)-, hydrazide;SCHEMBL2650529;HMS566G07;4-(Trifluoromethoxy)benzhydrazide;DTXSID90380424;4-trifluoromethoxybenzoic hydrazide;4-(trifluoromethyloxy)benzohydrazide;MFCD00204234;AKOS005064078;AC-7813;AS-5659;SB85916;4-trifluoromethoxybenzoic acid hydrazide;s10885;CS-0081142;FT-0616880;4-(TRIFLUOROMETHOXY)BENZOICACIDHYDRAZIDE;A811998;[2-(4-BROMOPHENYL)THIAZOL-4-YL]METHYLAMINE;J-011094

Chemical Property of 4-(Trifluoromethoxy)benzohydrazide

Chemical Property:

• Melting Point: 110 °C
• Refractive Index: 1.495
• PKA: 11.95±0.10(Predicted)
• PSA: 64.35000
• Density: 1.399g/cm³
• LogP: 2.27990
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 224

Purity/Quality:

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

4-(Trifluoromethoxy)benzoicAcidHydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NN)OC(F)(F)F

Technology Process of 4-(Trifluoromethoxy)benzohydrazide

There total 6 articles about 4-(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: 88.0%

methyl 4-(trifluoromethoxy)benzoate (780-31-4) → 4-trifluoromethoxybenzoyl hydrazine (175277-18-6)

Guidance literature:

With hydrazine hydrate; Reflux;

Reference yield:

4-trifluoromethoxybenzoic acid (330-12-1) → 4-trifluoromethoxybenzoyl hydrazine (175277-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / acetonitrile / 2 h / 20 °C

2: hydrazine hydrate / acetonitrile / 0 - 20 °C

With hydrazine hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile;

DOI:10.1021/acschemneuro.9b00430

Reference yield:

phenyl 4-(trifluoromethoxy)benzoate → 4-trifluoromethoxybenzoyl hydrazine (175277-18-6)

Guidance literature:

With hydrazine hydrate monohydrate;

DOI:10.1016/j.molstruc.2020.128059

upstream raw materials:

4-trifluoromethoxybenzoic acid

4-(trifluoromethoxy)benzoyl chloride

methyl 4-(trifluoromethoxy)benzoate

Downstream raw materials:

4-trifluoromethoxy-benzoic acid ethyl ester

C₃₃H₃₅F₄N₅O₂S

Refernces

• 1、 Choubey, Priyanka Kumari,Tripathi, Avanish,Tripathi, Manish Kumar,Seth, Ankit,Shrivastava, Sushant Kumar. "Design, synthesis, and evaluation of N-benzylpyrrolidine and 1,3,4-oxadiazole as multitargeted hybrids for the treatment of Alzheimer's disease". . . Retrieved 2021/05/05.
• 2、 ?ztürk, Mehmet,Demirta?, Ibrahim,Iyido?an, Ay?egül Karakü?ük,Kur?un Aktar, Bedriye Seda,Oru?-Emre, Emine El?in,S?cak, Yusuf,Tok, Tu?ba Ta?k?n,Ya?l?o?lu, Ayse ?ahin. "Designing heterocyclic chalcones, benzoyl/sulfonyl hydrazones: An insight into their biological activities and molecular docking study". . . Retrieved 2020/03/25.