2-Chloro-5,6,7,8-tetrahydroquinoline

Base Information

• Chemical Name: 2-Chloro-5,6,7,8-tetrahydroquinoline
• CAS No.: 21172-88-3
• Molecular Formula: C9H10ClN
• Molecular Weight: 167.638
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50524403
• Nikkaji Number: J3.309.201F
• Wikidata: Q72459706
• Mol file: 21172-88-3.mol

Synonyms:2-CHLORO-5,6,7,8-TETRAHYDROQUINOLINE;21172-88-3;MFCD09034992;SCHEMBL2301675;DTXSID50524403;ZUXMRCHYHAWERW-UHFFFAOYSA-N;BCP09297;chloro-5,6,7,8-tetrahydroquinoline;AKOS004120924;CS-W021655;DS-3621;SB68434;2-chloro-5,6,7,8-tetrahydro-quinoline;AC-32013;SY029161;EN300-93705;A879213

Chemical Property of 2-Chloro-5,6,7,8-tetrahydroquinoline

Chemical Property:

• Melting Point: 93-95 °C
• Boiling Point: 260℃
• PKA: 1.46±0.20(Predicted)
• Flash Point: 136℃
• PSA: 12.89000
• Density: 1.185
• LogP: 2.61380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.0501770
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5,6,7,8-tetrahydroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC(=N2)Cl

Technology Process of 2-Chloro-5,6,7,8-tetrahydroquinoline

There total 1 articles about 2-Chloro-5,6,7,8-tetrahydroquinoline 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-chloro-5,6,7,8-tetrahydroquinoline N-oxide (130861-71-1) → 2-chloro-5,6,7,8-tetrahydro-quinoline (21172-88-3) + 2-chloro-8-hydroxy-5,6,7,8-tetrahydroquinoline (130861-73-3)

Guidance literature:

With trifluoroacetic anhydride; In acetic acid; at 25 ℃; for 5h;

DOI:10.1055/s-0040-1707236

Reference yield: 95.0%

2-chloro-5,6,7,8-tetrahydro-quinoline (21172-88-3) → 2-bromo-5,6,7,8-tetrahydroquinoline (71308-91-3)

Guidance literature:

With trimethylsilyl bromide; In acetonitrile; at 150 ℃; for 2h; Microwave irradiation;

Reference yield: 81.0%

2-chloro-5,6,7,8-tetrahydro-quinoline (21172-88-3) + 1-[(4-chlorophenyl)methyl]piperazine (23145-88-2) → 1-(5,6,7,8-tetrahydroquinolin-2-yl)-4-(1-[4-chlorophenyl]methyl)-piperazine hydrobromide

Guidance literature:

at 150 ℃; for 0.333333h;

upstream raw materials:

2-chloro-5,6,7,8-tetrahydroquinoline N-oxide

Downstream raw materials:

5,6,7,8-tetrahydroquinoline

2-chloro-8-hydroxy-5,6,7,8-tetrahydroquinoline

(8R)-2-chloro-8-phenyl-5,6,7,8-tetrahydroquinoline

(7R,8R)-2-chloro-7-hydroxy-8-phenyl-5,6,7,8-tetrahydroquinoline