3,4-Dihydroisoquinoline-6,7-diol

Base Information

• Chemical Name: 3,4-Dihydroisoquinoline-6,7-diol
• CAS No.: 4602-83-9
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• Hs Code.: 29334990
• DSSTox Substance ID: DTXSID90421366
• Wikidata: Q72465365
• ChEMBL ID: CHEMBL4289414
• Mol file: 4602-83-9.mol

Synonyms:6,7-dihydroxy-3,4-dihydroisoquinoline

Chemical Property of 3,4-Dihydroisoquinoline-6,7-diol

Chemical Property:

• Appearance/Colour: yellow to brownish crystalline powder or flakes
• Vapor Pressure: 7.73E-09mmHg at 25°C
• Melting Point: 244-248 °C
• Refractive Index: 1.64
• Boiling Point: 396.4 °C at 760 mmHg
• Flash Point: 254 °C
• PSA: 52.82000
• Density: 1.36 g/cm³
• LogP: 0.50840
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydroisoquinoline-6,7-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-21/22
• Safety Statements: 36/37/39-26

MSDS Files:

Useful:

• Canonical SMILES: C1CN=CC2=CC(=C(C=C21)O)O
• Uses: 3,4-Dihydroisoquinoline-6,7-diol acts as a reagent for the synthesis of 6,7-dihydroxy-3,4-dihydroisoquinline, a novel inhibitor factore-kB in invitro invasion in murine mammary cells.

Technology Process of 3,4-Dihydroisoquinoline-6,7-diol

There total 2 articles about 3,4-Dihydroisoquinoline-6,7-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:

mellpaladine A → 3,4-dihydroisoquinoline-6,7-diol (4602-83-9) + dihydromellpaladine A + C15H24N4O2S2

Guidance literature:

With sodium tetrahydroborate; In water;

DOI:10.1016/j.tet.2016.09.051

Reference yield:

→ 3,4-dihydroisoquinoline-6,7-diol (4602-83-9)

Guidance literature:

entspr. Hydrobromid/W., wss. NH4OH;

DOI:10.1002/hlca.19650480814

Refernces

• 1、 Corrodi,Hillarp. "". . p. 911,916. Retrieved 1964.
• 2、 -. "Process for the preparation of (8As,12AS,13AS)-decahydroisoquino ((2,1-G) (1,6)-naphthyridin-8-one derivatives". . . Retrieved 2008/06/13.