Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester

Base Information

• Chemical Name: Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
• CAS No.: 129229-95-4
• Molecular Formula: C₃₅H₄₃N₃O₁₃
• Molecular Weight: 713.739
• DSSTox Substance ID: DTXSID40926336
• ChEMBL ID: CHEMBL267357
• Mol file: 129229-95-4.mol

Synonyms:129229-95-4;CHEMBL267357;Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester;DTXSID40926336;C35H43N3O13;BDBM50046996;C35-H43-N3-O13;LS-50683;(3,4,5-Trimethoxy-phenyl)-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester;[1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl hydrogen (3,4,5-trimethoxyphenyl)carbonimidate

Chemical Property of Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester

Chemical Property:

• Vapor Pressure: 1.96E-27mmHg at 25°C
• Boiling Point: 826.2°C at 760 mmHg
• Flash Point: 453.5°C
• PSA: 165.51000
• Density: 1.266g/cm³
• LogP: 3.86890
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 713.27958843
• Heavy Atom Count: 51
• Complexity: 1080

Purity/Quality:

98%min ^*data from raw suppliers

CARBAMIC ACID, (3,4,5-TRIMETHOXYPHENYL)-, (1,4-BIS(3,4,5-TRIMETHOXYBEN ZOYL)-2-PIPERAZINYL)METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C(C2)COC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Technology Process of Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester

There total 1 articles about Carbamic acid, (3,4,5-trimethoxyphenyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester 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: 58.0%

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) + (3,4,5-Trimethoxy-phenyl)-carbamic acid piperazin-2-ylmethyl ester; hydrochloride → (3,4,5-Trimethoxy-phenyl)-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester (129229-95-4)

Guidance literature:

With triethylamine; In benzene; Ambient temperature;

DOI:10.1021/jm00060a006

upstream raw materials:

3,4,5-Trimethoxybenzoyl chloride

Refernces