U-47700

Base Information

• Chemical Name: U-47700
• CAS No.: 82657-23-6
• Molecular Formula: C16H22Cl2N2O
• Molecular Weight: 329.269
• ChEMBL ID: CHEMBL277572
• DSSTox Substance ID: DTXSID601342914
• Nikkaji Number: J3.624.992G
• Wikidata: Q83129025
• Wikipedia: U-47700
• Mol file: 82657-23-6.mol

Synonyms:3,4-dichloro-N-((1R,2R)-2-(dimethylamino)cyclohexyl)-N-methylbenzamide;Benzamide, 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-methyl-, trans-;

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

Chemical Property of U-47700

Chemical Property:

• Melting Point: 97 - 98.5 °C (diethyl ether)
• Boiling Point: 464.8±45.0 °C(Predicted)
• PKA: 9.62±0.70(Predicted)
• PSA: 23.55000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 3.93820
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 328.1109187
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CCCCC1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
• Isomeric SMILES: CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl

Technology Process of U-47700

There total 3 articles about U-47700 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:

(±)-N,N-dimethyl-trans-1,2-diaminocyclohexane (67198-21-4) → trans-N-<2-(dimethylamino)cyclohexyl>-N-methyl-3,4-dichlorobenzamide (82657-23-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / 17 h / Heating

2: 82 percent / LAH / diethyl ether / 17 h / Heating

3: triethylamine / diethyl ether / 17 h / Ambient temperature

With lithium aluminium tetrahydride; triethylamine; In diethyl ether;

DOI:10.1021/jm00150a017

Reference yield:

trans-N-<2-(dimethylamino)cyclohexyl>formamide (67198-27-0) → trans-N-<2-(dimethylamino)cyclohexyl>-N-methyl-3,4-dichlorobenzamide (82657-23-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / LAH / diethyl ether / 17 h / Heating

2: triethylamine / diethyl ether / 17 h / Ambient temperature

With lithium aluminium tetrahydride; triethylamine; In diethyl ether;

DOI:10.1021/jm00150a017

Reference yield:

trans-N,N-dimethyl-N-methyl-1,2-cyclohexanediamine (67198-26-9) + 3,4-dichlorobenzoyl chloride (3024-72-4) → trans-N-<2-(dimethylamino)cyclohexyl>-N-methyl-3,4-dichlorobenzamide (82657-23-6)

Guidance literature:

With triethylamine; In diethyl ether; for 17h; Ambient temperature;

DOI:10.1021/jm00150a017

upstream raw materials:

trans-N,N-dimethyl-N-methyl-1,2-cyclohexanediamine

3,4-dichlorobenzoyl chloride

(±)-N,N-dimethyl-trans-1,2-diaminocyclohexane

trans-N-<2-(dimethylamino)cyclohexyl>formamide