N'-Phenylbenzohydrazide

Base Information

• Chemical Name: N'-Phenylbenzohydrazide
• CAS No.: 532-96-7
• Molecular Formula: C13H12 N2 O
• Molecular Weight: 212.251
• Hs Code.: 2928000090
• European Community (EC) Number: 208-550-5
• NSC Number: 239394,24944
• UNII: K25CT2CYZ7
• DSSTox Substance ID: DTXSID50201262
• Nikkaji Number: J6.993K
• Wikidata: Q69758062
• ChEMBL ID: CHEMBL444539
• Mol file: 532-96-7.mol

Synonyms:N'-Phenylbenzohydrazide;532-96-7;2'-Phenylbenzohydrazide;BENZOIC ACID, 2-PHENYLHYDRAZIDE;N-Anilinobenzamide;1-Benzoyl-2-phenylhydrazine;N-Benzoyl-N'-phenylhydrazine;Benzoic acid phenylhydrazone;Benzoic acid, phenyl hydrazide;beta-(Benzoyl)phenylhydrazine;NSC 239394;Benzoic acid N2-phenylhydrazide;Benzoic acid N'-phenyl-hydrazide;EINECS 208-550-5;AI3-04835;MLS002639022;CHEMBL444539;.beta.-(Benzoyl)phenylhydrazine;NSC-239394;N'-Phenylbenzhydrazide;ss-Benzoyl-phenylhydrazin;N'-Phenylbenzoylhydrazide;Benzoyl 2-phenylhydrazide;CBMicro_021210;K25CT2CYZ7;N,N'-Benzoylphenyl-hydrazin;SCHEMBL425101;Benzoic acid, N'-phenylhydrazide;DTXSID50201262;Benzoic acid N''-phenyl-hydrazide;HMS1607N07;HMS3093J05;CCG-8824;NSC24944;BDBM50086501;MFCD00030049;NSC-24944;NSC239394;STK391441;AKOS000266471;Benzoic hydrazide, N(.beta.)-phenyl-;LS-38147;SMR001548478;BIM-0021227.P001;CS-0317663;FT-0607379;A902095;SR-01000390749;N inverted exclamation mark -PHENYLBENZOHYDRAZIDE;SR-01000390749-1;5474-73-7

Chemical Property of N'-Phenylbenzohydrazide

Chemical Property:

• Melting Point: 168°C
• Refractive Index: 1.6920 (estimate)
• Boiling Point: 314°Cat760mmHg
• PKA: 11.94±0.23(Predicted)
• Flash Point: 121°C
• PSA: 41.13000
• Density: 1.198g/cm³
• LogP: 2.90740
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

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

BENZOIC ACID N2-PHENYLHYDRAZIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NNC2=CC=CC=C2

Technology Process of N'-Phenylbenzohydrazide

There total 121 articles about N'-Phenylbenzohydrazide 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: 85.0%

benzoyl chloride (98-88-4) + phenylhydrazine (100-63-0) → N-benzoyl-N'-phenylhydrazine (532-96-7)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; Cooling with ice;

DOI:10.1111/j.1747-0285.2010.00948.x

Reference yield: 83.0%

phenylhydrazine hydrochloride (59-88-1) + benzoic acid (65-85-0,8013-63-6) → N-benzoyl-N'-phenylhydrazine (532-96-7)

Guidance literature:

benzoic acid; With 1,1'-carbonyldiimidazole; In neat (no solvent); for 0.0833333h; Milling;

phenylhydrazine hydrochloride; In neat (no solvent); for 0.166667h; Milling;

DOI:10.1039/c2cc36352f

Reference yield: 81.0%

p-nitrophenylbenzoate (959-22-8) + phenylhydrazine (100-63-0) → N-benzoyl-N'-phenylhydrazine (532-96-7)

Guidance literature:

p-nitrophenylbenzoate; With 1,3-dimethylimidazolim iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; for 0.333333h; Schlenk technique;

phenylhydrazine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1055/s-0037-1610355

upstream raw materials:

Perbenzoic acid

2'-nitroso-2'-phenyl-benzenecarboxylic acid hydrazide

diethyl ether

(3-methyl-1-phenyl-1H-pyrazol-5-yl) benzoate

Downstream raw materials:

N’-acetyl-N’-phenylbenzohydrazide

N'-benzoyl-N-phenyl-N-(N'-phenyl-benzohydrazonoyl)-hydrazine

5‐methyl‐1,3‐diphenyl‐1H‐1,2,4‐triazole

3,5-dimethyl-1-phenyl-1H-1,2,4-triazole

Refernces

• 1、 Tian, Yu-Chen,Li, Jun-Kuan,Zhang, Fa-Guang,Ma, Jun-An. "Regioselective Decarboxylative Cycloaddition Route to Fully Substituted 3-CF3-Pyrazoles from Nitrilimines and Isoxazolidinediones". supporting information. p. 2093 - 2097. Retrieved 2021/03/15.
• 2、 Hao, Liqiang,Wang, Guodong,Sun, Jian,Xu, Jun,Li, Hongshuang,Duan, Guiyun,Xia, Chengcai,Zhang, Pengfei. "From Phenylhydrazone to 1H-1,2,4-Triazoles via Nitrification, Reduction and Cyclization". supporting information. p. 1657 - 1662. Retrieved 2020/03/19.