Benmoxin

Base Information

• Chemical Name: Benmoxin
• CAS No.: 7654-03-7
• Molecular Formula: C15H16N2O
• Molecular Weight: 240.305
• Hs Code.: 2928000090
• European Community (EC) Number: 231-619-6
• UNII: XC9FY2SGBG
• DSSTox Substance ID: DTXSID0046220
• Nikkaji Number: J8.957E
• Wikipedia: Benmoxin
• Wikidata: Q4889584
• NCI Thesaurus Code: C77520
• Metabolomics Workbench ID: 144337
• ChEMBL ID: CHEMBL1877495
• Mol file: 7654-03-7.mol

Synonyms:benmoxine

Chemical Property of Benmoxin

Chemical Property:

• Vapor Pressure: 3.55E-05mmHg at 25°C
• Melting Point: 93-94°
• Refractive Index: 1.6390 (estimate)
• Boiling Point: 353.6°C at 760 mmHg
• Flash Point: 127.6°C
• PSA: 44.62000
• Density: 1.109g/cm³
• LogP: 3.64790
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

N'-(1-Phenylethyl)benzohydrazide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NNC(=O)C2=CC=CC=C2
• Therapeutic Function: Antidepressant

Technology Process of Benmoxin

There total 10 articles about Benmoxin 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: 99.0%

1-Phenylethanol (98-85-1,13323-81-4) + benzoic acid hydrazide (613-94-5) → N′-(1-phenylethyl)benzohydrazide (7654-03-7)

Guidance literature:

With nickel(II) triflate; 1,3-bis(dicyclohexylphosphine)propane; In tert-Amyl alcohol; at 120 ℃; for 24h; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere; Glovebox; Schlenk technique; Molecular sieve;

DOI:10.1002/anie.201708949

Reference yield: 97.0%

acetophenone N-benzoylhydrazone (14850-97-6) → N′-(1-phenylethyl)benzohydrazide (7654-03-7)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol; for 0.5h;

Reference yield: 70.0%

benzaldehyde (100-52-7) + benzoic acid hydrazide (613-94-5) → N′-(1-phenylethyl)benzohydrazide (7654-03-7)

Guidance literature:

benzaldehyde; benzoic acid hydrazide; With borane pyridine; acetic acid; In methanol; at 0 - 20 ℃; for 2h;

With hydrogenchloride; In methanol; water; at 0 - 20 ℃; for 0.5h;

DOI:10.1055/s-0033-1340484

upstream raw materials:

acetophenone N-benzoylhydrazone

acetophenone N-benzoylhydrazone

benzaldehyde

benzoic acid hydrazide

Downstream raw materials:

(1-Phenylethyl)-benzoyl-diimid

acetophenone N-benzoylhydrazone

Refernces

• 1、 Nam, Geewoo,Suh, Jong-Min,Yi, Yelim,Lim, Mi Hee. "Drug repurposing: small molecules against Cu(II)–amyloid-β and free radicals". . . Retrieved 2021/09/06.
• 2、 Yang, Peng,Zhang, Caili,Ma, Yu,Zhang, Caiyun,Li, Aijie,Tang, Bo,Zhou, Jianrong Steve. "Nickel-Catalyzed N-Alkylation of Acylhydrazines and Arylamines Using Alcohols and Enantioselective Examples". supporting information. p. 14702 - 14706. Retrieved 2017/10/20.