1,1,3-Trimethyltetralin

Base Information

• Chemical Name: 1,1,3-Trimethyltetralin
• CAS No.: 85268-66-2
• Molecular Formula: C₁₃H₁₈
• Molecular Weight: 174.286
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40545546
• Nikkaji Number: J2.878.518F
• Mol file: 85268-66-2.mol

Synonyms:1,1,3-TRIMETHYLTETRALIN;85268-66-2;1,1,3-Trimethyl-1,2,3,4-tetrahydronaphthalene;DTXSID40545546;AKOS006274099

Chemical Property of 1,1,3-Trimethyltetralin

Chemical Property:

• PSA: 0.00000
• LogP: 3.54650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 174.140850574
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2=CC=CC=C2C(C1)(C)C

Technology Process of 1,1,3-Trimethyltetralin

There total 8 articles about 1,1,3-Trimethyltetralin 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: 95.0%

2,4-dimethyl-5-phenyl-2-pentene → 1,2,3,4-tetrahydro-1,1,3-trimethylnaphtalene (85268-66-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; water; at 40 ℃;

DOI:10.1039/c8cc02690d

Reference yield: 84.0%

2,4-dimethyl-5-phenyl-2-pentanol (85268-97-9) → 1,2,3,4-tetrahydro-1,1,3-trimethylnaphtalene (85268-66-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 0.25h; Heating;

DOI:10.1016/S0040-4020(01)87383-X

Reference yield: 47.0%

(4RS,5RS)-2,4-dimethyl-5-phenyl-5-tributylstannyl-2-pentanol (108964-66-5) → 1,2,3,4-tetrahydro-1,1,3-trimethylnaphtalene (85268-66-2)

Guidance literature:

With borontrifluoride acetic acid; In chloroform; at 0 ℃; for 2h;

DOI:10.1016/S0040-4020(01)87383-X

upstream raw materials:

1,1,3-trimethyl-1,2-dihydro-naphthalene

2,4-dimethyl-5-phenyl-2-pentanol

(4RS,5RS)-2,4-dimethyl-5-phenyl-5-tributylstannyl-2-pentanol

3-methyl-4-phenylbutanoic acid

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