5,6,7,8-Tetrahydroquinaldine

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinaldine
• CAS No.: 2617-98-3
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2933499090
• European Community (EC) Number: 678-622-2
• DSSTox Substance ID: DTXSID30481449
• Nikkaji Number: J534.176K
• Wikidata: Q72506863
• Mol file: 2617-98-3.mol

Synonyms:5,6,7,8-tetra-quinaldine;2-Methyl-5,6,7,8-tetrahydroquinoline;

Chemical Property of 5,6,7,8-Tetrahydroquinaldine

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 229.66 °C at 760 mmHg
• PKA: 7.02±0.20(Predicted)
• Flash Point: 82.256 °C
• PSA: 12.89000
• Density: 1.01 g/cm³
• LogP: 2.26880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,6,7,8-Tetrahydro-2-methylquinoline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(CCCC2)C=C1

Technology Process of 5,6,7,8-Tetrahydroquinaldine

There total 5 articles about 5,6,7,8-Tetrahydroquinaldine 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:

2-methylquinoline (91-63-4) → 2-methyl-5,6,7,8-tetrahydroquinoline (2617-98-3) + 1,2,3,4-tetrahydro-2-methylquinoline (1780-19-4)

Guidance literature:

With hydrogen; platinum; In trifluoroacetic acid; Yield given. Title compound not separated from byproducts;

DOI:10.1007/BF00809353

Reference yield:

2-methylquinoline (91-63-4) → decahydro-2-methylquinoline (20717-43-5) + 2-methyl-5,6,7,8-tetrahydroquinoline (2617-98-3) + 1,2,3,4-tetrahydro-2-methylquinoline (1780-19-4)

Guidance literature:

With hydrogen; aluminum oxide; ruthenium; In various solvent(s); at 160 ℃; for 1.6h; under 38786.1 Torr; Product distribution;

Reference yield:

1,2,3,4-tetrahydro-2-methylquinoline (1780-19-4) → decahydro-2-methylquinoline (20717-43-5) + 2-methylquinoline (91-63-4) + 2-methyl-5,6,7,8-tetrahydroquinoline (2617-98-3)

Guidance literature:

With hydrogen; nickel; at 200 ℃; under 7600 Torr; Rate constant; or Ru/C, 100 atm, 150 deg C;

DOI:10.1246/bcsj.63.3167

upstream raw materials:

2-methylquinoline

acetic anhydride

1,2,3,4-tetrahydro-2-methylquinoline

Downstream raw materials:

6,7-dihydro-8(5H)-quinolinone-2-carboxylic acid

6,7-dihydro-8(5H)-quinolinone-2-carboxaldehyde

decahydro-2-methylquinoline

Refernces

• 1、 Jiang, He-yan,Zhang, Si-shi,Sun, Bin. "Highly Selective Hydrogenation with Ionic Liquid Stabilized Nickel Nanoparticles". . p. 1336 - 1344. Retrieved 2018/03/26.
• 2、 Okazaki, Hiroshi,Onishi, Kiyotaka,Soeda, Mahito,Ikefuji, Yoshio,Tamura, Ryuji,Mochida, Isao. "Hydrogenation Pathway of Quinolines over Raney Nickel and Ru/C". . p. 3167 - 3174. Retrieved 2007/10/02.