1,2,3,4-Tetrahydroisoquinolin-2-ium-6,7-diol

Base Information

• Chemical Name: 1,2,3,4-Tetrahydroisoquinolin-2-ium-6,7-diol
• CAS No.: 52768-23-7
• Molecular Formula: C9H12BrNO2
• Molecular Weight: 246.104
• Hs Code.: 29334990
• DSSTox Substance ID: DTXSID30427584
• Mol file: 52768-23-7.mol

Synonyms:1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;norsalsolinol(1+);ACIDBLUE92;DTXSID30427584;CHEBI:194093;A829244

Chemical Property of 1,2,3,4-Tetrahydroisoquinolin-2-ium-6,7-diol

Chemical Property:

• Appearance/Colour: beige to brown powder
• Vapor Pressure: 2.7E-06mmHg at 25°C
• Melting Point: 210 °C
• Boiling Point: 379.3 °C at 760 mmHg
• Flash Point: 202.8 °C
• PSA: 52.49000
• LogP: 2.03040
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.086803626
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

1,2,3,4-Tetrahydroisoquinoline-6,7-diolhydrobromide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-51-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C[NH2+]CC2=CC(=C(C=C21)O)O

Technology Process of 1,2,3,4-Tetrahydroisoquinolin-2-ium-6,7-diol

There total 6 articles about 1,2,3,4-Tetrahydroisoquinolin-2-ium-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: 100.0%

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride (2328-12-3) → 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (52768-23-7)

Guidance literature:

With hydrogen bromide; at 120 ℃; for 2h;

DOI:10.1021/jm0309349

Reference yield: 100.0%

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (1745-07-9) → 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (52768-23-7)

Guidance literature:

With water; hydrogen bromide; at 105 ℃; for 5h; Product distribution / selectivity;

Reference yield: 100.0%

→ 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide (52768-23-7)

Guidance literature:

upstream raw materials:

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

formaldehyd

3-hydroxytyramine hydrobromide

Refernces

• 1、 -. "Cephem Compounds with Latent Reactive Groups". Paragraph 0362; 0364; 0382; 0383. . Retrieved 2019/04/18.
• 2、 Zheng, Hongbo,Dong, Yiwen,Li, Lin,Sun, Bin,Liu, Lei,Yuan, Huiqing,Lou, Hongxiang. "Novel Benzo[a]quinolizidine Analogs Induce Cancer Cell Death through Paraptosis and Apoptosis". supporting information. p. 5063 - 5076. Retrieved 2016/06/13.