2-Neopentylquinoline

Base Information

• Chemical Name: 2-Neopentylquinoline
• CAS No.: 7661-57-6
• Molecular Formula: C₁₄H₁₇N
• Molecular Weight: 199.296
• DSSTox Substance ID: DTXSID001304732
• Nikkaji Number: J117.507F
• Mol file: 7661-57-6.mol

Synonyms:Quinoline, 2-neopentyl-;7661-57-6;2-Neopentylquinoline;2-(2,2-dimethylpropyl)quinoline;2-Neopentylquinoline #;SCHEMBL5962484;DTXSID001304732

Chemical Property of 2-Neopentylquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 3.82340
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.136099547
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC1=NC2=CC=CC=C2C=C1

Technology Process of 2-Neopentylquinoline

There total 1 articles about 2-Neopentylquinoline 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:

quinoline (91-22-5) + Oxalic acid mono-(2,2-dimethyl-propyl) ester (143427-11-6) → 2-Neopentyl-chinolin (7661-57-6)

Guidance literature:

With sodium persulfate; sulfuric acid; silver nitrate; In dichloromethane; water; for 2h; Heating;

DOI:10.1246/cl.1992.1295

upstream raw materials:

quinoline

Oxalic acid mono-(2,2-dimethyl-propyl) ester