6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol

Base Information

• Chemical Name: 6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol
• CAS No.: 88014-18-0
• Molecular Formula: C₁₅H₂₃NO
• Molecular Weight: 233.354
• DSSTox Substance ID: DTXSID70518187
• Wikidata: Q82380698

Synonyms:88014-18-0;6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol;2(1H)-Isoquinolinehexanol, 3,4-dihydro-;DTXSID70518187;AKOS033282101;A1-27860;Z1349229708;6-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)HEXAN-1-OL

Chemical Property of 6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol

Chemical Property:

• Boiling Point: 147-149 °C(Press: 0.01 Torr)
• PSA: 23.47000
• Density: 1.021±0.06 g/cm3(Predicted)
• LogP: 2.53530
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 233.177964357
• Heavy Atom Count: 17
• Complexity: 207

Purity/Quality:

6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)CCCCCCO

Technology Process of 6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol

There total 4 articles about 6-(3,4-Dihydroisoquinolin-2(1H)-yl)hexan-1-ol 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: 53.0%

ethyl 4-(1,2,3,4-tetrahydro-2-isoquinolyl)hexanoate (88014-12-4) → 6-(1,2,3,4-tetrahydro-2-isoquinolyl)-1-hexanol (88014-18-0)

Guidance literature:

Reference yield: 19.0%

ethyl 6-oxo-6-(1,2,3,4-tetrahydro-2-isoquinolyl)hexanoate (88014-14-6) → 6-(1,2,3,4-tetrahydro-2-isoquinolyl)-1-hexanol (88014-18-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

Reference yield:

1,2,3,4-tetrahydroisoquinoline (91-21-4) → 6-(1,2,3,4-tetrahydro-2-isoquinolyl)-1-hexanol (88014-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65.3 percent

2: 53 percent

upstream raw materials:

ethyl 4-(1,2,3,4-tetrahydro-2-isoquinolyl)hexanoate

ethyl 6-oxo-6-(1,2,3,4-tetrahydro-2-isoquinolyl)hexanoate

1,2,3,4-tetrahydroisoquinoline

6-bromo-hexanoic acid ethyl ester

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