3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide

Base Information

• Chemical Name: 3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
• CAS No.: 55154-30-8
• Molecular Formula: C16H22Cl2N2O
• Molecular Weight: 329.269
• UNII: 10BR7A0SO0
• DSSTox Substance ID: DTXSID70203662
• Nikkaji Number: J326.187E
• Wikipedia: AH-7921
• Wikidata: Q4651730
• Mol file: 55154-30-8.mol

Synonyms:1-(3,4-dichlorobenzamidomethyl)cyclohexyldimethylamine;3,4-dichloro-N-(1-(dimethylamino)cyclohexyl)methylbenzamide;AH 7921;AH 7921 hydrochloride

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide

Chemical Property:

• Vapor Pressure: 7.22E-08mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 437.9 °C at 760 mmHg
• PKA: 13.57±0.46(Predicted)
• Flash Point: 218.6 °C
• PSA: 32.34000
• Density: 1.22 g/cm³
• LogP: 4.37860
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 328.1109187
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
• Description: AH 7921 (Item No. 12036) is an analytical reference material categorized as an opioid. It is an analgesic with high addictive liability in animal models. AH 7921 is regulated as a Schedule I compound in the United States. This product is intended for research and forensic applications.

Technology Process of 3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide

There total 5 articles about 3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide 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: 71.0%

[1-(N,N-dimethylamino)cyclohex-1-yl]methylamine hydrochloride (41921-99-7) + 3,4-dichlorobenzoyl chloride (3024-72-4) → AH 7921 (55154-30-8)

Guidance literature:

[1-(N,N-dimethylamino)cyclohex-1-yl]methylamine hydrochloride; With triethylamine; In diethyl ether; for 0.25h;

3,4-dichlorobenzoyl chloride; In diethyl ether; at 20 ℃; for 6h;

DOI:10.1021/acs.jmedchem.0c00683

Reference yield:

→ AH 7921 (55154-30-8) + 1-(dimethylamino)cyclohexanecarbonitrile (16499-30-2)

Guidance literature:

Reference yield:

1-aminomethyl‐1‐cyclohexanedimethylamine (41806-09-1) + 3,4-dichlorobenzoyl chloride (3024-72-4) → AH 7921 (55154-30-8)

Guidance literature:

1-aminomethyl‐1‐cyclohexanedimethylamine; With triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

3,4-dichlorobenzoyl chloride; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

cyclohexanone

1-(dimethylamino)cyclohexanecarbonitrile

1-aminomethyl‐1‐cyclohexanedimethylamine

3,4-dichlorobenzoyl chloride

Refernces

• 1、 Hsu, Tom,Mallareddy, Jayapal R.,Yoshida, Kayla,Bustamante, Vincent,Lee, Tim,Krstenansky, John L.,Zambon, Alexander C.. "Synthesis and pharmacological characterization of ethylenediamine synthetic opioids in human μ-opiate receptor 1 (OPRM1) expressing cells". . . Retrieved 2019/10/19.
• 2、 -. "1-(3,4-DICHLOROBENZAMIDOMETHYL)-CYCLOHEXYLDIMETHYLAMINE". . . Retrieved 2008/06/13.