1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Base Information

• Chemical Name: 1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
• CAS No.: 525-72-4
• Deprecated CAS: 78579-88-1
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• UNII: 51619CO22Q
• DSSTox Substance ID: DTXSID70862117
• Nikkaji Number: J231.939J
• Wikidata: Q2215280
• Metabolomics Workbench ID: 87150
• ChEMBL ID: CHEMBL416732
• Mol file: 525-72-4.mol

Synonyms:1-methyl-6,7-dihydroxytetrahydroisoquinoline;salsolinol;salsolinol hydrobromide;salsolinol, (+-)-isomer;salsolinol, (S)-isomer

Chemical Property of 1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Chemical Property:

• Melting Point: 181-183 °C
• Boiling Point: 362.6°Cat760mmHg
• PKA: 9.15±0.40(Predicted)
• Flash Point: 175.4°C
• PSA: 52.49000
• Density: 1.201g/cm³
• LogP: 1.63330
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)O)O

Technology Process of 1-Methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

There total 7 articles about 1-Methyl-1,2,3,4-tetrahydroisoquinoline-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: 75.0%

dopamine hydrochloride (62-31-7) + acetaldehyde (75-07-0,9002-91-9) → (+/-)-salsolinol (525-72-4,27740-96-1,53622-83-6,78579-88-1)

Guidance literature:

With potassium phosphate; In acetonitrile; at 50 ℃; for 12h; pH=6;

DOI:10.1039/c0cc05282e

Reference yield:

dopamine (51-61-6) + acetaldehyde (75-07-0,9002-91-9) → (+/-)-salsolinol (525-72-4,27740-96-1,53622-83-6,78579-88-1)

Guidance literature:

In water; at 20 ℃; for 72h;

DOI:10.1023/A:1022226418497

Reference yield:

(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline) (493-48-1,5784-74-7,38520-68-2,54193-08-7) → (+/-)-salsolinol (525-72-4,27740-96-1,53622-83-6,78579-88-1)

Guidance literature:

With water; hydrogen bromide; Reagens 2: 48%ig.;

DOI:10.1021/ja01125a051

upstream raw materials:

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

(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline)

dopamine hydrochloride

acetaldehyde

Downstream raw materials:

N-Nor-1-methylcorypalline

6-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-ol

rac-salsoline

(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline)

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