2-Methyltetralin

Base Information

• Chemical Name: 2-Methyltetralin
• CAS No.: 3877-19-8
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• NSC Number: 66993
• DSSTox Substance ID: DTXSID90871044
• Nikkaji Number: J101.413G
• Mol file: 3877-19-8.mol

Synonyms:2-METHYLTETRALIN;2-Methyltetraline;.beta.-Methyltetralin;3877-19-8;Naphthalene, 1,2,3,4-tetrahydro-2-methyl-;2-methyl-1,2,3,4-tetrahydronaphthalene;NSC66993;1,2,3,4-Tetrahydro-2-methylnaphthalene;DTXSID90871044;WJRGJANWBCPTLH-UHFFFAOYSA-N;NSC 66993;NSC-66993;1,3,4-Tetrahydro-2-methylnaphthalene;2-Methyl-[1,3,4-tetrahydronaphthalene];Naphthalene,2,3,4-tetrahydro-2-methyl-;2-Methyl-(1,2,3,4-tetrahydronaphthalene)

Chemical Property of 2-Methyltetralin

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Melting Point: -43°C
• Refractive Index: 1.5243
• Boiling Point: 221.1°Cat760mmHg
• Flash Point: 79.7°C
• PSA: 0.00000
• Density: 0.935g/cm³
• LogP: 2.81140
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=CC=CC=C2C1

Technology Process of 2-Methyltetralin

There total 16 articles about 2-Methyltetralin 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: 64.8%

2-Methylnaphthalene (91-57-6,34468-07-0) → 2-methyltetralin (3877-19-8) + 6-methyl-1,2,3,4-tetrahydronaphthalene (1680-51-9)

Guidance literature:

With aluminum oxide; hydrogen; molybdenum hexacarbonyl; In Hexadecane; at 400 ℃; for 2h; under 15001.5 Torr; Reagent/catalyst; Autoclave;

DOI:10.1134/S0965544118010164

Reference yield: 41.6%

pentylbenzene (538-68-1) → 1-methyl-1,2,3,4-tetrahydronaphthalene (1559-81-5) + 2-methyltetralin (3877-19-8) + 1-Methylnaphthalene (90-12-0,34475-76-8) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With [Ir(η3-C6H3-2,6-(CH2P(t-Bu)3)2)]; at 205 ℃; for 72h; Catalytic behavior;

DOI:10.1021/acscatal.6b00149

Reference yield: 18.3%

pentylbenzene (538-68-1) → 1-methyl-1,2,3,4-tetrahydronaphthalene (1559-81-5) + 2-methyltetralin (3877-19-8) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With C₂₁H₃₇IrOP₂; at 205 ℃; for 8h; Catalytic behavior;

DOI:10.1021/acscatal.6b00149

upstream raw materials:

2-Methylnaphthalene

2-n-Butylphenyl-diazomethan

tert-butyl 2-indanperacetate

tert-butyl 1-indanperacetate

Downstream raw materials:

styrene

naphthalene

1,2-Dihydronaphthalene

benzocyclobutene

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