1,2,3,4-Tetrahydroisoquinoline-4,6-diol

Base Information

• Chemical Name: 1,2,3,4-Tetrahydroisoquinoline-4,6-diol
• CAS No.: 93202-93-8
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30918609
• ChEMBL ID: CHEMBL5078792
• Mol file: 93202-93-8.mol

Synonyms:1,2,3,4-tetrahydroisoquinoline-4,6-diol;93202-93-8;BRN 1450888;1,2,3,4-Tetrahydro-4,6-isoquinolinediol;4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-;5-21-04-00475 (Beilstein Handbook Reference);CHEMBL5078792;DTXSID30918609;LS-85597

Chemical Property of 1,2,3,4-Tetrahydroisoquinoline-4,6-diol

Chemical Property:

• Vapor Pressure: 1.02E-06mmHg at 25°C
• Boiling Point: 388.1°C at 760 mmHg
• Flash Point: 209°C
• PSA: 52.49000
• Density: 1.293g/cm³
• LogP: 0.85760
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,4-Tetrahydroisoquinoline-4,6-diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=C(CN1)C=CC(=C2)O)O

Technology Process of 1,2,3,4-Tetrahydroisoquinoline-4,6-diol

There total 1 articles about 1,2,3,4-Tetrahydroisoquinoline-4,6-diol 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:

2-Benzyl-1,2,3,4-tetrahydro-isoquinoline-4,6-diol; hydrochloride (79677-15-9) → 4,6-Dihydroxy-1,2,3,4-tetrahydroisoquinoline (93202-93-8)

Guidance literature:

With hydrogen; palladium; In methanol; Ambient temperature;

DOI:10.1007/BF00503663

Reference yield: 88.0%

4,6-Dihydroxy-1,2,3,4-tetrahydroisoquinoline (93202-93-8) + benzyl bromide (100-39-0) → 2-benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol (93202-95-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113861

Reference yield: 67.0%

4,6-Dihydroxy-1,2,3,4-tetrahydroisoquinoline (93202-93-8) + biphenyl-4-methylchloride (1667-11-4) → 2-([1,1'-biphenyl]-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113861

upstream raw materials:

2-Benzyl-1,2,3,4-tetrahydro-isoquinoline-4,6-diol; hydrochloride

Downstream raw materials:

2-benzyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol

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