3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one

Base Information

• Chemical Name: 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one
• CAS No.: 1015-55-0
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• Hs Code.: 2914509090
• European Community (EC) Number: 213-803-8
• NSC Number: 103559
• DSSTox Substance ID: DTXSID20143968
• Nikkaji Number: J217.139B
• Wikidata: Q83008039
• Mol file: 1015-55-0.mol

Synonyms:1015-55-0;5,8-Dimethoxy-1-tetralone;5,8-dimethoxy-3,4-dihydronaphthalen-1(2h)-one;3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one;5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;5,8-Dimethoxytetralin-1-one;EINECS 213-803-8;5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-one;NSC103559;NCIOpen2_007286;SCHEMBL1274261;DTXSID20143968;5,8-Dimethoxy-1-tetralone 99%;5,8-Dimethoxy-1-tetralone,99%;BAA01555;5,8-Dimethoxy-1-tetralone, 99%;MFCD03701612;AKOS012024825;NSC 103559;NSC-103559;NS-02222;J-000430

Chemical Property of 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one

Chemical Property:

• Vapor Pressure: 1.51E-05mmHg at 25°C
• Melting Point: 59-63 °C(lit.)
• Boiling Point: 366°C at 760 mmHg
• Flash Point: 166.5°C
• PSA: 35.53000
• Density: 1.14g/cm³
• LogP: 2.22280
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,8-Dimethoxy-1,2,3,4-tetrahydronaphthalen-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C2CCCC(=O)C2=C(C=C1)OC

Technology Process of 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one

There total 10 articles about 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one 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: 90.0%

1-ethenyl-3,6-dimethoxybenzocyclobuten-1-ol (133565-94-3) → 5,8-dimethoxytetralone (1015-55-0)

Guidance literature:

In toluene; at 110 ℃; for 48h;

DOI:10.1016/S0040-4039(00)74896-9

Reference yield: 89.0%

4-(2,5-dimethoxyphenyl)butyric acid (1083-11-0) → 5,8-dimethoxytetralone (1015-55-0)

Guidance literature:

With PPA; at 80 ℃; for 0.5h;

DOI:10.1021/jo000684t

Reference yield:

3-(2,5-dimethoxybenzoyl)propionic acid (1084-74-8) → 5,8-dimethoxytetralone (1015-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn; HCl / 3-methyl-butan-1-ol

2: PPA

With hydrogenchloride; zinc; In i-Amyl alcohol; 1: Clemmensen reduction;

DOI:10.1081/SCC-120030312

upstream raw materials:

4-(2,5-dimethoxyphenyl)butyric acid

1-ethenyl-3,6-dimethoxybenzocyclobuten-1-ol

3-(2,5-dimethoxybenzoyl)propionic acid

1,4-dimethoxybezene

Downstream raw materials:

2-(5,8-dimethoxy-1-oxo-3,4-dihydro-1H-[2]naphthylidenemethyl)-benzoic acid

cycloshikonin

(E)-5,8-dimethoxy-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

5,6,7,8-tetrahydronaphthalene-1,4-diol