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

Base Information

• Chemical Name: 8-Fluoro-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 123594-01-4
• Molecular Formula: C9H10FN
• Molecular Weight: 151.18
• DSSTox Substance ID: DTXSID60595588
• Wikidata: Q72477071
• Mol file: 123594-01-4.mol

Synonyms:123594-01-4;8-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE;8-Fluoro-1,2,3,4-tetrahydro-isoquinoline;Isoquinoline, 8-fluoro-1,2,3,4-tetrahydro-;SCHEMBL3052029;DTXSID60595588;MFCD11223555;AKOS006289002;SB32093;CS-0442994;EN300-150209

Chemical Property of 8-Fluoro-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Boiling Point: 234.9±40.0 °C(Predicted)
• PKA: 8.82±0.20(Predicted)
• PSA: 12.03000
• Density: 1.107
• LogP: 1.80020
• Storage Temp.: under inert gas (nitrogen or Argon) at 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

8-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=C2F

Technology Process of 8-Fluoro-1,2,3,4-tetrahydroisoquinoline

There total 6 articles about 8-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: 94.0%

8-fluoro-3,4-dihydroisoquinoline → 8-fluoro-1,2,3,4-tetrahydroisoquinoline (123594-01-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 25 ℃; for 1h; Cooling with ice;

DOI:10.3390/molecules23061280

Reference yield:

8-fluoroisoquinoline (1075-00-9) → 8-fluoro-1,2,3,4-tetrahydroisoquinoline (123594-01-4)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; at 20 ℃; for 5h; under 2585.81 Torr;

Reference yield:

2-Fluorobenzaldehyde (446-52-6) → 8-fluoro-1,2,3,4-tetrahydroisoquinoline (123594-01-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: methanol / 16 h / 20 - 70 °C

1.2: 3 h / 20 °C

2.1: pyridine / dichloromethane / 16 h / 0 - 20 °C

3.1: aluminum (III) chloride / dichloromethane / 1.5 h / 45 °C

4.1: potassium tert-butylate / tert-butyl alcohol / 1 h / 85 °C

5.1: hydrogen; acetic acid; platinum(IV) oxide / 5 h / 20 °C / 2585.81 Torr

With pyridine; platinum(IV) oxide; aluminum (III) chloride; potassium tert-butylate; hydrogen; acetic acid; In methanol; dichloromethane; tert-butyl alcohol;

upstream raw materials:

2-Fluorobenzaldehyde

8-fluoroisoquinoline

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