1,2-Dibenzoyl-1-tert-butylhydrazine

Base Information

• Chemical Name: 1,2-Dibenzoyl-1-tert-butylhydrazine
• CAS No.: 112225-87-3
• Molecular Formula: C18H20N2O2
• Molecular Weight: 296.369
• Hs Code.: 2928000031
• European Community (EC) Number: 881-743-5
• UNII: LA6UVC88VD
• DSSTox Substance ID: DTXSID7073800
• Nikkaji Number: J381.714H
• Wikidata: Q27117862
• Metabolomics Workbench ID: 55875
• ChEMBL ID: CHEMBL387744
• Mol file: 112225-87-3.mol

Synonyms:1,2-dibenzoyl-t-butylhydrazine;1,2-dibenzoyl-tert-butylhydrazine;N'-benzoyl-N-(tert-butyl)benzohydrazide;RH 5849;RH-5849

Chemical Property of 1,2-Dibenzoyl-1-tert-butylhydrazine

Chemical Property:

• Melting Point: 178.5 °C
• Refractive Index: 1.577
• PKA: 10.97±0.46(Predicted)
• PSA: 49.41000
• Density: 1.128 g/cm³
• LogP: 3.66320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 296.152477885
• Heavy Atom Count: 22
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dibenzoyl-1-(tert-butyl)hydrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
• Uses: 1,2-Dibenzoyl-1-(tert-butyl)hydrazine is an ecdysone agonist that causes the premature initiation of molting at all stages of larval development of the tobacco hornworm, Manduca sexta.

Technology Process of 1,2-Dibenzoyl-1-tert-butylhydrazine

There total 7 articles about 1,2-Dibenzoyl-1-tert-butylhydrazine 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: 94.5%

1-benzoyl-2-tert-butylhydrazine (17473-79-9) + benzoyl chloride (98-88-4) → benzoic acid N'-benzoyl-N-tert-butylhydrazide (112225-87-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 94.5%

N'-t-butyl-N'-benzoylhydrazine (99981-48-3) + benzoyl chloride (98-88-4) → benzoic acid N'-benzoyl-N-tert-butylhydrazide (112225-87-3)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1002/ps.597

Reference yield: 78.0%

tertbutylhydrazine hydrochloride (7400-27-3) + benzoyl chloride (98-88-4) → benzoic acid N'-benzoyl-N-tert-butylhydrazide (112225-87-3)

Guidance literature:

With sodium hydroxide; at 0 ℃; for 2h;

upstream raw materials:

tertbutylhydrazine hydrochloride

benzoyl chloride

1-benzoyl-2-tert-butylhydrazine

N'-t-butyl-N'-benzoylhydrazine

Downstream raw materials:

2-phenyl-3-benzoyl-1,3,4-oxadiazole-2-(3H)-thione

N-benzyl-N'-t-butyl-N,N'-dibenzoylhydrazine

N-methoxymethyl-N'-t-butyl-N-N'-dibenzoylhydrazine

C₁₈H₁₉ClN₂O₂S

Refernces

• 1、 Mulvihill,Nguyen,MacDougall,Weaver,Mathis. "A novel convenient synthesis of 1,3,4-oxadiazol-2-ones and -thiones from N-tert-butyldiacylhydrazines". . p. 1965 - 1970. Retrieved 2001.
• 2、 Wang,Huang,Bi,Li. "Synthesis and biological activity of novel N-sulfenylated derivatives of diacylhydrazines". . p. 342 - 343. Retrieved 2007/10/03.