Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis-

Base Information

• Chemical Name: Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis-
• CAS No.: 160413-41-2
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.544
• DSSTox Substance ID: DTXSID90439461
• Nikkaji Number: J609.835E
• Mol file: 160413-41-2.mol

Synonyms:160413-41-2;Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis-;DTXSID90439461

Chemical Property of Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis-

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 411.25219192
• Heavy Atom Count: 30
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=O)NC1=CC(=CC(=N1)NC(=O)CCCCC)OCC2=CC=CC=C2

Technology Process of Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis-

There total 1 articles about Hexanamide, N,N'-[4-(phenylmethoxy)-2,6-pyridinediyl]bis- 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: 91.0%

4?benzyloxy?2,6?diaminopyridine (18986-54-4) + Hexanoyl chloride (142-61-0) → 2,6-bis(hexanoylamino)-4-benzyloxypyridine (160413-41-2)

Guidance literature:

With triethylamine; In chloroform; at 0 - 20 ℃; for 6h;

DOI:10.1021/ja993554e

Reference yield:

2,6-bis(hexanoylamino)-4-benzyloxypyridine (160413-41-2) → hexanoic acid (4-{2-[[2-(2,6-bis-hexanoylamino-pyridin-4-yloxy)-ethyl]-(4-bromo-phenyl)-amino]-ethoxy}-6-hexanoylamino-pyridin-2-yl)-amide

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / H₂ / Pd/C / ethanol / 16 h

2: 54 percent / K₂CO₃ / acetone / 96 h / Heating

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; acetone; 1: Elimination / 2: Substitution;

DOI:10.1021/ja993554e

Reference yield:

2,6-bis(hexanoylamino)-4-benzyloxypyridine (160413-41-2) → Hexanoic acid {4-[2-([2-(2,6-bis-hexanoylamino-pyridin-4-yloxy)-ethyl]-{4-[(E)-2-(5-formyl-thiophen-2-yl)-vinyl]-phenyl}-amino)-ethoxy]-6-hexanoylamino-pyridin-2-yl}-amide

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / H₂ / Pd/C / ethanol / 16 h

2: 54 percent / K₂CO₃ / acetone / 96 h / Heating

3: 80 percent / tri-o-tolylphosphine; Bu₃N; Pd(OAc)2 / dimethylformamide / 12 h / 90 °C

With palladium diacetate; tributyl-amine; hydrogen; potassium carbonate; tris-(o-tolyl)phosphine; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide; acetone; 1: Elimination / 2: Substitution / 3: Condensation;

DOI:10.1021/ja993554e

upstream raw materials:

4?benzyloxy?2,6?diaminopyridine

Hexanoyl chloride