4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate

Base Information

• Chemical Name: 4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate
• CAS No.: 947669-91-2
• Molecular Formula: C₂₇H₂₃N₃O₃
• Molecular Weight: 437.498
• ChEMBL ID: CHEMBL4068554
• DSSTox Substance ID: DTXSID40590859
• Pharos Ligand ID: 39MF7GHY9K8B
• Wikidata: Q27089234
• Mol file: 947669-91-2.mol

Synonyms:N-methyl-N-((3-(4-pyridinyl)phenyl)methyl)-4'-(aminocarbonyl)(1,1'-biphenyl)-4-yl ester, carbamic acid;WWL70

Chemical Property of 4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate

Chemical Property:

• PSA: 85.52000
• LogP: 5.84560
• Storage Temp.: Store at +4°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 437.17394160
• Heavy Atom Count: 33
• Complexity: 635

Purity/Quality:

99%, ^*data from raw suppliers

[4-(4-Carbamoylphenyl)phenyl]N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC(=CC=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
• Uses: WWL70 is a selective inhibitor of ABHD6.

Technology Process of 4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate

There total 2 articles about 4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate 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:

4’-hydroxybiphenyl-4-carboxamide (182318-78-1) → N-methyl-N-[[3-(4-pyridinyl)phenyl]methyl]-4'-(aminocarbonyl)[1',1'-biphenyl]-4-yl carbamic acid ester (947669-91-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / acetonitrile / 2 h / 20 °C

2: Et₃N / CH₂Cl₂

With triethylamine; In dichloromethane; acetonitrile;

DOI:10.1021/ja073650c

Reference yield:

C18H14N2O6 + N-methyl-(3-(pyridin-4-yl)phenyl)methylamine (852180-67-7) → N-methyl-N-[[3-(4-pyridinyl)phenyl]methyl]-4'-(aminocarbonyl)[1',1'-biphenyl]-4-yl carbamic acid ester (947669-91-2)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/ja073650c

upstream raw materials:

N-methyl-(3-(pyridin-4-yl)phenyl)methylamine

4’-hydroxybiphenyl-4-carboxamide

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