1,4,5,8-tetrahydronaphthalene

Base Information

• Chemical Name: 1,4,5,8-tetrahydronaphthalene
• CAS No.: 493-04-9
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• European Community (EC) Number: 207-773-5
• DSSTox Substance ID: DTXSID90197756
• Nikkaji Number: J149.744H
• Wikidata: Q83070531
• Mol file: 493-04-9.mol

Synonyms:1,4,5,8-Tetrahydronaphthalene;Isotetralin

Chemical Property of 1,4,5,8-tetrahydronaphthalene

Chemical Property:

• Vapor Pressure: 0.229mmHg at 25°C
• Melting Point: 42 °C
• Boiling Point: 214.3°Cat760mmHg
• Flash Point: 80°C
• PSA: 0.00000
• Density: 0.97g/cm³
• LogP: 2.98300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

1,4,5,8-TETRAHYDRONAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: C1C=CCC2=C1CC=CC2

Technology Process of 1,4,5,8-tetrahydronaphthalene

There total 11 articles about 1,4,5,8-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: 98.0%

1,4-dihydronaphthalene (612-17-9) → isotetraline (493-04-9)

Guidance literature:

With N,N'-Dimethylurea; tris(pyrrolidino)phosphine oxide; lithium bromide; In tetrahydrofuran; Electrochemical reaction;

DOI:10.1126/science.aav5606

Reference yield: 96.0%

ammonium chloride → isotetraline (493-04-9) + SiO2 (7631-86-9,105269-70-3,1317-48-2,13778-37-5,14464-46-1,14808-60-7,14832-85-0,15468-32-3,17679-64-0,87347-84-0,92283-58-4,99439-28-8,15723-40-7)

Guidance literature:

With naphthalene; Ethane-1,2-diamine;

Reference yield: 90.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) → isotetraline (493-04-9)

Guidance literature:

With lithium; tert-butyl alcohol; In tetrahydrofuran; at -10 - 0 ℃; for 7.33333h; Inert atmosphere;

upstream raw materials:

naphthalene

1,5-dimethoxynaphthalene

1,4-epoxy-1,4-dihydronaphthalene

propelladienedione

Downstream raw materials:

11-oxatricyclo<4.4.1.0^1,6>undeca-3,8-diene

1,1-Dimethyl-2,3-bis-cyclopropan

3-cyclohexyl-2-oxa-3-aza-[4.4.4]propella-8,12-diene-3-carbonitrile

tricyclo<4.4.1.0^1,6>undeca-3,8-diene

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