1,4-Epoxy-1,2,3,4-tetrahydronaphthalene

Base Information

• Chemical Name: 1,4-Epoxy-1,2,3,4-tetrahydronaphthalene
• CAS No.: 35185-96-7
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• DSSTox Substance ID: DTXSID20956631
• Nikkaji Number: J948.544I
• Mol file: 35185-96-7.mol

Synonyms:35185-96-7;1,4-Epoxy-1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydro-1,4-epoxynaphthalene;1,4-Epoxynaphthalene,1,2,3,4-tetrahydro-;1,4-Epoxynaphthalene, 1,2,3,4-tetrahydro-;11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene;SCHEMBL2588122;tetrahydro-1,4-epoxynaphthalene;DTXSID20956631;AKOS024319541;FT-0694319;1,2,3,4-Tetrahydronaphthalene 1,4-endoxide;1,2,3,4-Tetrahydronaphthalene-1,4-endo-oxide;E87804;1,4-EPOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE;11-oxatricyclo[6.2.1.0,undeca-2(7),3,5-triene;InChI=1/C10H10O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-4,9-10H,5-6H

Chemical Property of 1,4-Epoxy-1,2,3,4-tetrahydronaphthalene

Chemical Property:

• Vapor Pressure: 0.657mmHg at 25°C
• Melting Point: 14.5°C
• Refractive Index: 1.592
• Boiling Point: 193.2 °C at 760 mmHg
• Flash Point: 90 °C
• PSA: 9.23000
• Density: 1.159 g/cm³
• LogP: 2.59280
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

1,4-Epoxy-1,2,3,4-tetrahydronaphthalene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2C3=CC=CC=C3C1O2

Technology Process of 1,4-Epoxy-1,2,3,4-tetrahydronaphthalene

There total 2 articles about 1,4-Epoxy-1,2,3,4-tetrahydronaphthalene 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: 15.0%

2-endo,3-exo-bis(phenylsulfonyl)-1,4-epoxy-1,2,3,4-tetrahydronaphthalene → 1,4-dihydronaphthalene-1,4-epoxide (573-57-9) + 1,2,3,4-tetrahydro-1,4-epoxynaphthalene (35185-96-7) + naphthalene (91-20-3,71998-51-1,72931-45-4)

Guidance literature:

With sodium dihydrogenphosphate; sodium amalgam; In methanol; for 6h; Ambient temperature;

DOI:10.1021/jo00222a028

Reference yield:

1-Ethoxy-1,3-dihydroisobenzofuran (75802-19-6) → 1,2,3,4-tetrahydro-1,4-epoxynaphthalene (35185-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / mesitoic acid / toluene / 24 h / Heating

2: 15 percent / 6 wt percent Na/Hg, NaH₂PO₄*H₂O / methanol / 6 h / Ambient temperature

With sodium dihydrogenphosphate; sodium amalgam; mesitylenecarboxylic acid; In methanol; toluene;

DOI:10.1021/jo00222a028

Reference yield: 100.0%

1,2,3,4-tetrahydro-1,4-epoxynaphthalene (35185-96-7) → 1,2,3,4-Tetrahydro-1-naphthol (529-33-9)

Guidance literature:

With naphthalene; lithium; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/0040-4039(95)01692-B

upstream raw materials:

1-Ethoxy-1,3-dihydroisobenzofuran

Downstream raw materials:

1,2,3,4-Tetrahydro-1-naphthol

naphthalene

C₁₉H₁₈

1,4-diallyl-1,2,3,4-tetrahydronaphthalene

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