6-(Dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol

Base Information

• Chemical Name: 6-(Dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
• CAS No.: 39478-90-5
• Deprecated CAS: 135743-24-7
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.272
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40929140
• Nikkaji Number: J22.673D
• Wikidata: Q27216060
• ChEMBL ID: CHEMBL146419
• Mol file: 39478-90-5.mol

Synonyms:5,6-dihydroxy-2-dimethylaminotetralin;M 7;M 7, hydrobromide;M 7, hydrobromide, (+-)-isomer;M 7, hydrochloride;M-7

Chemical Property of 6-(Dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol

Chemical Property:

• Vapor Pressure: 8.47E-06mmHg at 25°C
• Boiling Point: 363.7°Cat760mmHg
• PKA: 10.20±0.40(Predicted)
• Flash Point: 192.1°C
• PSA: 43.70000
• Density: g/cm³
• LogP: 1.51670
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CCC2=C(C1)C=CC(=C2O)O

Technology Process of 6-(Dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol

There total 3 articles about 6-(Dimethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-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:

1,2,6-trimethoxynaphthalene (55218-06-9) → 2-(N,N-Dimethylamino)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene (39478-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Na, EtOH

2: (i) TsOH, benzene, (ii) H₂, PtO₂, EtOH, (iii) aq. HI, Ac₂O

With ethanol; sodium;

DOI:10.1021/jm00238a008

Reference yield:

5,6-dimethoxy-2-tetralone (52644-01-6) + dimethyl amine (124-40-3) → 2-(N,N-Dimethylamino)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene (39478-90-5)

Guidance literature:

Multistep reaction; (i) TsOH, benzene, (ii) H₂, PtO₂, EtOH, (iii) aq. HI, Ac₂O;

DOI:10.1021/jm00238a008

Reference yield:

→ 2-(N,N-Dimethylamino)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalene (39478-90-5)

Guidance literature:

entsprech. Dimethyl-aether, 48percentig. HBr, Δ;

DOI:10.1021/jm00274a003

upstream raw materials:

5,6-dimethoxy-2-tetralone

dimethyl amine

1,2,6-trimethoxynaphthalene

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