N,N'-Dibenzoylhydrazine

Base Information

• Chemical Name: N,N'-Dibenzoylhydrazine
• CAS No.: 787-84-8
• Molecular Formula: C14H12 N2 O2
• Molecular Weight: 240.261
• Hs Code.: 2928000090
• European Community (EC) Number: 212-329-9
• NSC Number: 2762
• UNII: N3XBA6QS95
• DSSTox Substance ID: DTXSID7061142
• Nikkaji Number: J30.976A
• Wikipedia: Dibenzoylhydrazine
• Wikidata: Q27117859
• Metabolomics Workbench ID: 55873
• ChEMBL ID: CHEMBL115405
• Mol file: 787-84-8.mol

Synonyms:N,N'-Dibenzoylhydrazine;787-84-8;N'-Benzoylbenzohydrazide;Dibenzoylhydrazine;1,2-Dibenzoylhydrazine;Benzoic acid, 2-benzoylhydrazide;N,N-dibenzoylhydrazine;N2-Benzoylbenzoic acid hydrazide;HYDRAZINE, 1,2-DIBENZOYL-;C6H5-CO-NH-NH-CO-C6H5;NSC 2762;EINECS 212-329-9;BRN 0523810;N3XBA6QS95;AI3-16232;CHEMBL115405;CHEBI:38453;NSC-2762;4-09-00-00935 (Beilstein Handbook Reference);NN'-Dibenzoylhydrazine;Benzoic acid,2-benzoylhydrazide;PhCOOH azine de;Benzoic acid, azine;sym-Dibenzoylhydrazine;1,2,dibenzoylhydrazine;Hydrazine,2-dibenzoyl-;N''-benzoylbenzohydrazide;N'-benzoyl-benzohydrazide;N,N''-dibenzoylhydrazine;UNII-N3XBA6QS95;N'-Benzoylbenzohydrazide #;ghl.PD_Mitscher_leg0.908;SCHEMBL400890;I+/-,I(2)-Dibenzoylhydrazid;DTXSID7061142;Dibenzoyl hydrazine (symmetrical);N'-(phenylcarbonyl)benzohydrazide;NSC2762;Benzoic Acid N'-Benzoyl-Hydrazide;BDBM50056896;MFCD00003068;STK993801;AKOS002311362;AS-57729;LS-76714;CS-0141558;D0150;FT-0629437;D89603;A839496;Q27117859;Z30187058;F1048-2711;(NZ,Z)-N-[hydroxy(phenyl)methylene]benzenecarbohydrazonic acid

Chemical Property of N,N'-Dibenzoylhydrazine

Chemical Property:

• Vapor Pressure: 1.39E-09mmHg at 25°C
• Melting Point: 238-240 °C(lit.)
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 485.6°C at 760 mmHg
• PKA: 10.70±0.23(Predicted)
• Flash Point: 202.8°C
• PSA: 58.20000
• Density: 1.213g/cm³
• LogP: 2.54320
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: very slightly in Solution of sodium hydroxide in water,Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.089877630
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

N,N'-Dibenzoylhydrazine >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21:Harmful by inhalation and in contact with skin.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N'-Dibenzoylhydrazine

There total 137 articles about N,N'-Dibenzoylhydrazine 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: 95.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + benzoic acid hydrazide (613-94-5) → N'-benzoylbenzohydrazide (787-84-8)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 120 ℃; under 30003 Torr; Autoclave; Green chemistry;

DOI:10.1016/j.apcata.2014.05.001

Reference yield: 89.0%

benzoyl chloride (98-88-4) + benzoic acid hydrazide (613-94-5) → N'-benzoylbenzohydrazide (787-84-8)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03357

Reference yield: 88.0%

benzoic acid (65-85-0,8013-63-6) → N'-benzoylbenzohydrazide (787-84-8)

Guidance literature:

With hydrazine hydrate; Vilsmeier reagent; triethylamine; In acetonitrile; at 20 ℃; for 7h;

DOI:10.1007/s11164-016-2738-x

upstream raw materials:

pyridine

benzoyl thiosemicarbazide

benzoyl chloride

thioformic acid N'-benzoyl-hydrazide

Downstream raw materials:

tribenzoylhydrazine

tetrabenzoyl-hydrazine

benzoic acid anhydride

4-(p-anisyl)-3,5-diphenyl-4H-1,2,4-triazole

Refernces

• 1、 Shanmuga Sundara Raj,Yamin, Bohari M.,Boshaala, Ahmed M. A.,Tarafder,Crouse, Karen A.,Fun, Hoong-Kun. "1,2-Dibenzoylhydrazine". . p. 1011 - 1012. Retrieved 2000.
• 2、 Yavari, Issa,Khaledian, Omid. "A formal [3+2] cycloaddition reaction of: N -methylimidazole as a masked hydrogen cyanide: Access to 1,3-disubstitued-1 H -1,2,4-triazoles". supporting information. p. 9150 - 9153. Retrieved 2020/10/02.
• 3、 Abbas, Azhar,Ali, Basharat,Kanwal,Khan, Khalid Mohammed,Iqbal, Jamshed,ur Rahman, Shafiq,Zaib, Sumera,Perveen, Shahnaz. "Synthesis and in vitro urease inhibitory activity of benzohydrazide derivatives, in silico and kinetic studies". . p. 163 - 177. Retrieved 2018/10/21.