5,6-Dimethoxy-1-tetralone

Base Information

• Chemical Name: 5,6-Dimethoxy-1-tetralone
• CAS No.: 24039-89-2
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70429128
• Nikkaji Number: J314.944G
• Mol file: 24039-89-2.mol

Synonyms:24039-89-2;5,6-dimethoxy-1-tetralone;5,6-Dimethoxy-3,4-dihydronaphthalen-1(2H)-one;5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;5,6-dimethoxytetralone;5,6-Dimethoxytetralin-1-one;SCHEMBL611321;DTXSID70429128;JBHSDODMGMJWSE-UHFFFAOYSA-N;CS-0336271;F87864;5,6-dimethoxy-1,2,3,4-tetrahydro-1-naphthalenone

Chemical Property of 5,6-Dimethoxy-1-tetralone

Chemical Property:

• Melting Point: 104-105 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 366.0±42.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.140±0.06 g/cm3(Predicted)
• 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%min ^*data from raw suppliers

5,6-Dimethoxy-3,4-dihydronaphthalen-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C(=O)CCC2)OC

Technology Process of 5,6-Dimethoxy-1-tetralone

There total 24 articles about 5,6-Dimethoxy-1-tetralone 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: 98.0%

4-(2',3'-dimethoxyphenyl)-3-butanoic acid (64400-76-6) → 5,6-dimethoxy-1-tetralone (24039-89-2)

Guidance literature:

With polyphosphoric acid; at 60 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2010.07.052

Reference yield: 75.0%

ethyl 4-(2,3-dimethoxyphenyl)butanoate (220293-99-2) → 5,6-dimethoxy-1-tetralone (24039-89-2)

Guidance literature:

ethyl 4-(2,3-dimethoxyphenyl)butanoate; With sulfuric acid; at 85 - 90 ℃; for 0.25h;

With potassium carbonate; dimethyl sulfate; In acetone; for 2h; Reflux;

DOI:10.1021/op970111r

Reference yield: 55.0%

1,1-(1,2-Benzenediyldithio)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene (87543-01-9) → 5,6-dimethoxy-1-tetralone (24039-89-2)

Guidance literature:

With boron trifluoride diethyl etherate; mercury(II) oxide; In tetrahydrofuran; water;

DOI:10.1021/jo00304a021

upstream raw materials:

ethoxydimethylvinylsilane

N,N-diethyl 3,4-dimethoxy-2-methylbenzamide

4-(2',3'-dimethoxyphenyl)-3-butanoic acid

1,1-(1,2-Benzenediyldithio)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

5,6-dihydroxy-3,4-dihydronaphthalen-1(2H)-one

5,6-dimethoxy-2-tetralone

5,6-dimethoxy-2-aminotetrahydronaphthalene

1-{2-[-4-(5,6-Dimethoxy-3,4-dihydro-naphthalen-1-yl)-phenoxy]-ethyl}-pyrrolidine

Refernces

• 1、 -. "BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS". Page/Page column 67. . Retrieved 2019/06/23.
• 2、 Bonner, Lisa A.,Laban, Uros,Chemel, Benjamin R.,Juncosa, Jose I.,Lill, Markus A.,Watts, Val J.,Nichols, David E.. "Mapping the catechol binding site in dopamine D1 receptors: Synthesis and evaluation of two parallel series of bicyclic dopamine analogues". experimental part. p. 1024 - 1040. Retrieved 2012/01/06.