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

Base Information

• Chemical Name: 8-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 284027-36-7
• Molecular Formula: C₁₀H₁₀F₃N
• Molecular Weight: 201.191
• European Community (EC) Number: 850-293-1
• DSSTox Substance ID: DTXSID901226195
• Mol file: 284027-36-7.mol

Synonyms:8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;284027-36-7;8-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline;8-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline;SCHEMBL329629;DTXSID901226195;MFCD11223554;AKOS015900710;SB36371;WS-01367;CS-0047128;EN300-320933;W16278;A876728;1,2,3,4-Tetrahydro-8-(trifluoromethyl)isoquinoline;METHYL4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE95

Chemical Property of 8-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Boiling Point: 217.4±35.0 °C(Predicted)
• PKA: 8.95±0.20(Predicted)
• PSA: 12.03000
• Density: 1.213±0.06 g/cm3(Predicted)
• LogP: 2.67990
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.2
• 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%min ^*data from raw suppliers

8-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C=CC=C2C(F)(F)F

Technology Process of 8-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

There total 5 articles about 8-(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: 100.0%

8-trifluoromethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester → 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (284027-36-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

2-(3-trifluoromethylphenyl)ethylamine (52516-30-0) → 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (284027-36-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

2.1: acetic acid; sulfuric acid / 2 h / 20 °C / Inert atmosphere

3.1: sodium hydroxide; water / ethanol / 2 h / 90 °C

3.2: 1 h / 20 °C

4.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

With sulfuric acid; water; acetic acid; triethylamine; trifluoroacetic acid; sodium hydroxide; In ethanol; dichloromethane;

Reference yield:

2,2,2-trifluoro-N-[2-(3-trifluoromethylphenyl)ethyl]acetamide (181514-28-3) → 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (284027-36-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid; sulfuric acid / 2 h / 20 °C / Inert atmosphere

2.1: sodium hydroxide; water / ethanol / 2 h / 90 °C

2.2: 1 h / 20 °C

3.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C

With sulfuric acid; water; acetic acid; trifluoroacetic acid; sodium hydroxide; In ethanol; dichloromethane;

upstream raw materials:

2-(3-trifluoromethylphenyl)ethylamine

2,2,2-trifluoro-N-[2-(3-trifluoromethylphenyl)ethyl]acetamide

Downstream raw materials:

C₃₀H₃₃F₃N₂O

Refernces

• 1、 -. "Substituted phenyl methanones". Page/Page column 16. . Retrieved 2008/06/13.