2-ETHYLNAPHTHALENE

Base Information

• Chemical Name: 2-ETHYLNAPHTHALENE
• CAS No.: 939-27-5
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 213-360-0
• NSC Number: 59389
• UNII: QR6992R4PR
• DSSTox Substance ID: DTXSID9061330
• Nikkaji Number: J53.719E
• Wikidata: Q81989411
• ChEMBL ID: CHEMBL370944
• Mol file: 939-27-5.mol

Synonyms:2-Ethylnaphthalene;3-Ethylnaphthalene; NSC 59389; b-Ethylnaphthalene

Chemical Property of 2-ETHYLNAPHTHALENE

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0229mmHg at 25°C
• Melting Point: −70 °C(lit.)
• Refractive Index: n20/D 1.599(lit.)
• Boiling Point: 251-252 °C(lit.)
• Flash Point: 104.4°C
• PSA: 0.00000
• Density: 0.999g/cm³
• LogP: 3.40220
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 8mg/L(25 oC)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

2-Ethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CCC1=CC2=CC=CC=C2C=C1

Technology Process of 2-ETHYLNAPHTHALENE

There total 144 articles about 2-ETHYLNAPHTHALENE 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: 72.0%

2-Naphthalenemethanol (1592-38-7) + methylmagnesium bromide (75-16-1) → 2-ethylnaphthalene (939-27-5) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 2-[2-(dicyclohexylphosphino)-phenyl]-1-methyl-1H-indole; In toluene; at 80 ℃; for 12h; Schlenk technique; Sealed tube;

DOI:10.1002/cjoc.201700664

Reference yield: 58.0%

<2-Methylcinnamoyl(methoxycarbonyl)methylene>triphenylphosphorane (167561-53-7) → 2-ethylnaphthalene (939-27-5) + 2-naphthylethylene (827-54-3,28406-56-6) + Triphenylphosphine oxide (791-28-6) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

at 900 ℃; for 2.77778E-06h; under 0.01 Torr;

DOI:10.1016/0040-4039(94)02445-H

Reference yield: 58.0%

4-Methoxycarbonyl-1-(2-methylphenyl)but-1-en-3-yne → methanol (67-56-1) + 2-ethylnaphthalene (939-27-5) + 2-naphthylethylene (827-54-3,28406-56-6) + 2-Methylnaphthalene (91-57-6,34468-07-0)

Guidance literature:

at 830 ℃; for 2.77778E-06h; under 0.001 - 0.1 Torr;

upstream raw materials:

ethyl bromide

naphthalene

2-bromonaphthalene

6-Acetyl-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

2-naphthylethylene

6-ethyltetralin

2-ethylnaphthalene-1,2,3,4-tetrahydro

1-(2-ethyl-[1]naphthyl)-ethanone