6-Fluoro-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 6-Fluoro-1,2,3,4-tetrahydroquinoline
• CAS No.: 59611-52-8
• Molecular Formula: C9H10FN
• Molecular Weight: 151.184
• Hs Code.: 2933499090
• European Community (EC) Number: 851-639-4
• DSSTox Substance ID: DTXSID40563962
• Nikkaji Number: J3.132.755E
• Wikidata: Q82448517
• Mol file: 59611-52-8.mol

Synonyms:6-fluoro-1,2,3,4-tetrahydroquinoline;59611-52-8;6-Fluoro-1,2,3,4-tetrahydro-quinoline;MFCD09040997;Quinoline, 6-fluoro-1,2,3,4-tetrahydro-;SCHEMBL2216455;DTXSID40563962;NECDDBBJVCNJNS-UHFFFAOYSA-N;AKOS000123245;CS-W007199;MB06900;6-Fluoro-1,2,3,4-tetrahydroquinoline;SY102541;TS-01996;EN300-36072;F11863;6-Fluoro-1,2,3,4-tetrahydroquinoline, AldrichCPR;J-518697;6-Fluoro-1 pound not2 pound not3 pound not4-tetrahydroquinoline

Chemical Property of 6-Fluoro-1,2,3,4-tetrahydroquinoline

Chemical Property:

• Melting Point: 32-34℃
• Boiling Point: 248.042 °C at 760 mmHg
• PKA: 5.15±0.20(Predicted)
• Flash Point: 103.813 °C
• PSA: 12.03000
• Density: 1.108 g/cm³
• LogP: 2.32180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.079727485
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

6-fluoro-1,2,3,4-tetrahydroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)F)NC1
• Uses: 6-Fluoro-1,2,3,4-tetrahydroquinoline is used as pharmaceutical intermediate.

Technology Process of 6-Fluoro-1,2,3,4-tetrahydroquinoline

There total 8 articles about 6-Fluoro-1,2,3,4-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: 99.0%

6-fluoroquinoline (396-30-5) → 6-fluoro-1,2,3,4-tetrahydroquinoline (59611-52-8)

Guidance literature:

With hydrogen; In toluene; at 30 ℃; for 1h; regioselective reaction;

DOI:10.1002/anie.201609663

Reference yield: 86.0%

ethanol (64-17-5) + (2-amino-5-fluorophenyl)methanol (748805-85-8) → 6-fluoro-1,2,3,4-tetrahydroquinoline (59611-52-8)

Guidance literature:

With nanosized Ni particles supported on Ni- and Al-containing layered double oxides; at 120 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acscatal.9b03245

Reference yield: 86.0%

→ 6-fluoro-1,2,3,4-tetrahydroquinoline (59611-52-8)

Guidance literature:

With C₁₆H₂₆MnN₃O₃P⁽¹⁺⁾*Br^(1-); potassium tert-butylate; hydrogen; In tetrahydrofuran; at 120 ℃; for 16h; under 60006 Torr; Autoclave;

upstream raw materials:

6-fluoro-1-formyl-1,2,3,4-tetrahydroquinoline

6-fluoroquinoline

5-fluoro-1-indanone oxime

4-fluoroaniline

Downstream raw materials:

6-fluoroquinoline

5-fluoro-2-nitro-benzenepropanoic acid methyl ester

Refernces

• 1、 Timelthaler, Daniel,Topf, Christoph. "Heterogeneous Hydrogenation of Quinoline Derivatives Effected by a Granular Cobalt Catalyst". . p. 629 - 642. Retrieved 2021/11/22.
• 2、 Zhou, Chao-Zheng,Zhao, Yu-Rou,Tan, Fang-Fang,Guo, Yan-Jun,Li, Yang. "Utilization of renewable formic acid from lignocellulosic biomass for the selective hydrogenation and/or N-methylation". . p. 4724 - 4728. Retrieved 2021/09/06.