7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 199678-32-5
• Molecular Formula: C10H10F3N
• Molecular Weight: 201.191
• Hs Code.: 2933499090
• European Community (EC) Number: 816-891-1
• DSSTox Substance ID: DTXSID50438899
• Nikkaji Number: J974.630G
• Wikidata: Q72512930
• ChEMBL ID: CHEMBL27499
• Mol file: 199678-32-5.mol

Synonyms:7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;199678-32-5;7-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline;7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline;CHEMBL27499;SCHEMBL183621;DTXSID50438899;BDBM50072979;MFCD08059296;AKOS005264251;7-trifluoromethyl-tetrahydroisoquinoline;AB43077;AS-47661;A4373;FT-0647822;EN300-331841;F15081;7-(trifluoromethyl)-1,2,3,4-tetrahydro-isoquinoline;Z1269225831

Chemical Property of 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Vapor Pressure: 0.0716mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 228.91 °C at 760 mmHg
• PKA: 8.85±0.20(Predicted)
• Flash Point: 92.242 °C
• PSA: 12.03000
• Density: 1.213 g/cm³
• LogP: 3.48190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.07653381
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

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

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=CC(=C2)C(F)(F)F

Technology Process of 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

There total 16 articles about 7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 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%

2,2,2-trifluoro-1-[7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one (284027-34-5) → 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (199678-32-5)

Guidance literature:

With ethanol; water; potassium carbonate; for 1h; Heating / reflux;

Reference yield: 74.0%

7-(trifluoromethyl)isoquinoline (1194375-56-8) → 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (199678-32-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 112511 Torr;

DOI:10.1021/acs.joc.9b03011

Reference yield: 71.0%

→ 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (199678-32-5)

Guidance literature:

With potassium carbonate; In methanol; water; at 20 ℃; for 5h;

upstream raw materials:

2-acetyl-7-amino-1,2,3,4-tetrahydro-isoquinoline

7-iodo-N-acetyl-1,2,3,4-tetrahydroisoquinoline

2-chloro-5-trifluoromethylbenzoic acid

2-[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]ethanol

Downstream raw materials:

7-(trifluoromethyl)isoquinoline

2-((6-methoxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

8-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-{[7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

1-{2-oxo-2-[7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethyl}-3,3-diphenylpyrrolidin-2-one

Refernces

• 1、 Alekseenko, Anatoliy N.,Bugera, Maksym Ya.,Gerus, Igor I.,Kiriakov, Oleksandr,Klipkov, Anton A.,Mykhailiuk, Pavel K.,Pustovit, Yurii,Razhyk, Bohdan,Semenov, Sergey,Starova, Viktoriia S.,Tananaiko, Oksana Yu.,Tarasenko, Karen,Tolmachev, Andrei A.,Trofymchuk, Serhii,Zaporozhets, Olga A.. "Deoxofluorination of (Hetero)aromatic Acids". . p. 3110 - 3124. Retrieved 2020/03/23.
• 2、 -. "Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity". Page/Page column 24. . Retrieved 2008/06/13.