5-Fluoro-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 5-Fluoro-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 406923-64-6
• Molecular Formula: C₉H₁₀FN
• Molecular Weight: 151.184
• European Community (EC) Number: 832-584-5
• DSSTox Substance ID: DTXSID50585675
• Wikidata: Q82477675
• Mol file: 406923-64-6.mol

Synonyms:5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE;406923-64-6;5-fluoro-1,2,3,4-tetrahydro-isoquinoline;Isoquinoline, 5-fluoro-1,2,3,4-tetrahydro-;Isoquinoline, 5-fluoro-1,2,3,4-tetrahydro- (9CI);Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-;SCHEMBL327075;DTXSID50585675;HPLVZHZIUJGIDQ-UHFFFAOYSA-N;MFCD08544278;AKOS009279352;5-fluoro-3,4-dihydro-2H-isoquinoline;SB37085;AC-28300;AS-47470;AM20120458;CS-0137828;EN300-118829;F13835;Z368591508

Chemical Property of 5-Fluoro-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Boiling Point: 234.9 °C at 760 mmHg
• Flash Point: 95.9 °C
• PSA: 12.03000
• Density: 1.107 g/cm³
• LogP: 1.80020
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• 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:

97% ^*data from raw suppliers

5-fluoro-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)F

Technology Process of 5-Fluoro-1,2,3,4-tetrahydroisoquinoline

There total 12 articles about 5-Fluoro-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: 69.0%

2,2,2-trifluoro-1-(5-fluoro-3.4-dihydroisoquinolin-2(1H)-yl)ethan-1-one → 5-Fluoro-1,2,3,4-tetrahydroisoquinoline (123594-00-3,406923-64-6)

Guidance literature:

With methanol; sodium carbonate; at 60 ℃; for 1h;

Reference yield:

[2-(2-fluorophenyl)ethyl]amine (52721-69-4) → 5-Fluoro-1,2,3,4-tetrahydroisoquinoline (123594-00-3,406923-64-6)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

2: acetic acid; sulfuric acid / dichloromethane / 8 h / 20 °C / Inert atmosphere

3: sodium carbonate; methanol / 1 h / 60 °C

With methanol; sulfuric acid; sodium carbonate; acetic acid; triethylamine; In dichloromethane;

Reference yield:

5-fluoro-3,4-dihydro-2H-isoquinolin-1-one (230301-83-4) → 5-Fluoro-1,2,3,4-tetrahydroisoquinoline (123594-00-3,406923-64-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 25 ℃; for 5h;

upstream raw materials:

N-(carbobenzyloxy)-5-fluoro-1,2,3,4-tetrahydroisoquinoline

5-nitro-1,2,3,4-tetrahydroisoquinoline

5-Nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester

5-amino-3,4-dihydroisoquinoline-2(H)-carboxylic acid benzyl ester ester

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