N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide

Base Information

• Chemical Name: N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
• CAS No.: 130787-20-1
• Molecular Formula: C₂₁H₂₄N₄O₄
• Molecular Weight: 396.446
• DSSTox Substance ID: DTXSID10872230
• Nikkaji Number: J1.564.194K
• Mol file: 130787-20-1.mol

Synonyms:130787-20-1;DTXSID10872230;N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-3,4,5-trimethoxybenzamide

Chemical Property of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 396.17975526
• Heavy Atom Count: 29
• Complexity: 545

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC3=NN(N=C3C=C2)C4CCCC4

Technology Process of N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide

There total 3 articles about N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide 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: 40.0%

2-cyclopentyl-5-aminobenzotriazole (130787-05-2) + 3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-3,4,5-trimethoxy-benzamide (130787-20-1)

Guidance literature:

With pyridine; In benzene; for 4h; Heating;

DOI:10.1016/0223-5234(90)90118-M

Reference yield:

2-cyclopentyl-5-nitrobenzotriazole (130787-26-7) → N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-3,4,5-trimethoxy-benzamide (130787-20-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / H₂ / 10percent Pd/C / methanol / Ambient temperature

2: 40 percent / pyridine / benzene / 4 h / Heating

With pyridine; hydrogen; palladium on activated charcoal; In methanol; benzene;

DOI:10.1016/0223-5234(90)90118-M

Reference yield:

5-nitrobenzotriazole (2338-12-7) → N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-3,4,5-trimethoxy-benzamide (130787-20-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 38 percent / C₂H₅ONa / 24 h / Heating

2: 100 percent / H₂ / 10percent Pd/C / methanol / Ambient temperature

3: 40 percent / pyridine / benzene / 4 h / Heating

With pyridine; hydrogen; sodium ethanolate; palladium on activated charcoal; In methanol; benzene;

DOI:10.1016/0223-5234(90)90118-M

upstream raw materials:

2-cyclopentyl-5-aminobenzotriazole

3,4,5-Trimethoxybenzoyl chloride

5-nitrobenzotriazole

2-cyclopentyl-5-nitrobenzotriazole