Benzetimide

Base Information

• Chemical Name: Benzetimide
• CAS No.: 14051-33-3
• Deprecated CAS: 119391-55-8
• Molecular Formula: C23H26 N2 O2
• Molecular Weight: 362.472
• Hs Code.: 2933399090
• UNII: B987T0L5FX
• DSSTox Substance ID: DTXSID2046173
• Nikkaji Number: J8.476J
• Wikidata: Q27274534
• NCI Thesaurus Code: C73007
• ChEMBL ID: CHEMBL10272
• Mol file: 14051-33-3.mol

Synonyms:Benzetimide;Dexbenzetimid;Dexbenzetimide;Dexetimide;dextro Benzetimide;dextro-Benzetimide;R 16470;R-16470;R16470;Spasmentral;Tremblex

Chemical Property of Benzetimide

Chemical Property:

• Vapor Pressure: 6.86E-12mmHg at 25°C
• Melting Point: 156-159°
• Boiling Point: 543.9°Cat760mmHg
• Flash Point: 282.7°C
• PSA: 49.41000
• Density: 1.178g/cm³
• LogP: 3.53990
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 362.199428076
• Heavy Atom Count: 27
• Complexity: 529

Purity/Quality:

99%, ^*data from raw suppliers

1''-Benzyl-3-Phenyl-[3,4''-Bipiperidine]-2,6-Dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4
• Use Description: 3-(1-benzyl-4-piperidyl)-3-phenyl-piperidine-2,6-dione is a chemical compound with potential applications in various fields. In the field of pharmaceuticals and medicinal chemistry, it can serve as a key intermediate in the synthesis of organic molecules and pharmaceutical agents, potentially contributing to the development of new drugs targeting a range of medical conditions. Its role is pivotal in drug discovery and development, aiding in the creation of medications with specific therapeutic properties. Additionally, in the field of chemical research, this compound can be employed as a reference compound for the study of piperidine derivatives and their reactivity, facilitating research in organic chemistry and chemical analysis. Furthermore, in the pharmaceutical industry, it may find applications as a chemical intermediate for the development of new drug compounds, potentially contributing to drug discovery and medicinal chemistry research. Its multifaceted utility underscores its significance in pharmaceuticals, chemical research, and scientific investigation, where it plays a crucial role in drug innovation, compound synthesis, and chemical analysis.

Technology Process of Benzetimide

There total 3 articles about Benzetimide 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:

[14C]-Benzetimide hydrochloride (6767-69-7,21888-96-0) → Benzetimide (14051-33-3)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 20 ℃; for 18h;

Reference yield:

2-(1-benzyl-piperidin-4-yl)-2-phenyl-pentanedinitrile (83898-32-2) → Benzetimide (14051-33-3)

Guidance literature:

With sulfuric acid; In acetic acid; at 165 ℃;

DOI:10.1016/j.bmcl.2008.07.115

Reference yield:

→ Benzetimide (14051-33-3)

Guidance literature:

1-Benzyl-4-<α-cyan-α-(2-cyanethyl)-benzyl>-piperidin-hydrochlorid, konz. H2SO4;

DOI:10.1021/jm00310a607

upstream raw materials:

[14C]-Benzetimide hydrochloride

2-(1-benzyl-piperidin-4-yl)-2-phenyl-pentanedinitrile

Downstream raw materials:

[125I]-Dexetimide

Levetimide

2-Iodobenzetimide

2-Bromobenzetimide

Refernces

• 1、 -. "PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS". Page/Page column 65. . Retrieved 2008/06/13.