5,7-Dimethyltetralin

Base Information

• Chemical Name: 5,7-Dimethyltetralin
• CAS No.: 21693-54-9
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• Hs Code.: 2902909090
• NSC Number: 63116
• UNII: 2JHT7DL3NQ
• DSSTox Substance ID: DTXSID60289718
• Nikkaji Number: J117.140B
• Wikidata: Q82027155
• Mol file: 21693-54-9.mol

Synonyms:5,7-Dimethyltetralin;21693-54-9;5,7-Dimethyltetraline;5,7-dimethyl-1,2,3,4-tetrahydronaphthalene;Naphthalene,1,2,3,4-tetrahydro-5,7-dimethyl-;Naphthalene, 1,2,3,4-tetrahydro-5,7-dimethyl-;NSC-63116;5,7-dimethyl-1,2,3,4-tetrahydro-naphthalene;5,7-Dimethyl-(1,2,3,4-tetrahydronaphthalene);5,7-Dimethyl-[1,2,3,4-tetrahydronaphthalene];5,2,3,4-tetrahydronaphthalene];NSC63116;2JHT7DL3NQ;1,2,3,4-tetrahydro-6,8-dimethylnaphthalene;DTXSID60289718;MDAXYSXRAMOWLY-UHFFFAOYSA-N;AKOS006273624;FT-0731830;1,2,3,4-Tetrahydro-5,7-dimethylnaphthalene;Naphthalene,2,3,4-tetrahydro-5,7-dimethyl-

Chemical Property of 5,7-Dimethyltetralin

Chemical Property:

• Vapor Pressure: 0.0352mmHg at 25°C
• Melting Point: -6°C
• Refractive Index: 1.5405
• Boiling Point: 250°Cat760mmHg
• Flash Point: 99.9°C
• PSA: 0.00000
• Density: 0.949g/cm³
• LogP: 3.18220
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99%min ^*data from raw suppliers

5,7-DIMETHYLTETRALINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2CCCCC2=C1)C

Technology Process of 5,7-Dimethyltetralin

There total 1 articles about 5,7-Dimethyltetralin 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:

cis-1-isopropenyl-2-(prop-2-enyl)cyclohexanol → 1,3-dimethylnaphthalene (575-41-7) + 5,7-dimethyltetralin (21693-54-9) + 5,7-Dimethyl-1,2-dihydronaphtalin (53156-00-6) + 6,8-dimethyl-1,2-dihydronaphthalene (53156-01-7)

Guidance literature:

With p-benzoquinone; bis(benzonitrile)palladium(II) dichloride; In acetonitrile; for 0.5h; Further byproducts. Title compound not separated from byproducts.; Heating;

DOI:10.1021/jo0705871

Reference yield:

5,7-dimethyltetralin (21693-54-9) → 1,3-dimethylnaphthalene (575-41-7)

Guidance literature:

at 300 ℃;

Reference yield:

5,7-dimethyltetralin (21693-54-9) → 1,3-dimethylnaphthalene (575-41-7)

Guidance literature:

at 220 ℃;

DOI:10.1039/jr9490003194

Downstream raw materials:

1,3-dimethylnaphthalene

2-amino-1,3-dimethyl-4-phenylthionaphthalene

1,3-dimethyl-2-nitro-4-phenylthionaphthalene

2-amino-1-methyl-3-(2,4,6-trimethylphenylthiomethyl)naphthalene

Refernces