3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid

Base Information

Chemical Name:3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid
CAS No.:1402612-64-9
Molecular Formula:C₂₈H₂₆N₄O₃
Molecular Weight:466.539
Hs Code.:
DSSTox Substance ID:DTXSID801111173
Nikkaji Number:J3.240.317D
ChEMBL ID:CHEMBL3263582

Synonyms:3-(4-(1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl)phenyl)benzoic acid;KT203

Suppliers and Price of 3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:466.20049070
Heavy Atom Count:35
Complexity:719

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O

Technology Process of 3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid

There total 4 articles about 3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid 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: 89.0%

: 1402612-63-8
benzyl 4′-(1-(2-benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1′-biphenyl]-3-carboxylate

: 1402612-64-9
4′-(1-(2-benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1′-biphenyl]-3-carboxylic acid

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

Reference yield:

: 5301-98-4
4-(4-bromophenyl)-1H-1,2,3-triazole

: 1402612-64-9
4′-(1-(2-benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1′-biphenyl]-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.5 h / 4 °C / Inert atmosphere

1.2: 2 h / 60 °C / Inert atmosphere

2.1: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 2 h / 80 °C / Inert atmosphere

3.1: hydrogen / palladium 10% on activated carbon / tetrahydrofuran / 20 °C / Inert atmosphere

With hydrogen; potassium carbonate; N-ethyl-N,N-diisopropylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; water;

Reference yield:

: 32838-55-4
2-benzylpiperidine

: 1402612-64-9
4′-(1-(2-benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl)-[1,1′-biphenyl]-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.5 h / 4 °C / Inert atmosphere

1.2: 2 h / 60 °C / Inert atmosphere

2.1: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 2 h / 80 °C / Inert atmosphere

3.1: hydrogen / palladium 10% on activated carbon / tetrahydrofuran / 20 °C / Inert atmosphere

With hydrogen; potassium carbonate; N-ethyl-N,N-diisopropylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; water;