1,4,5,8,9,10-Hexahydroanthracene

Base Information

• Chemical Name: 1,4,5,8,9,10-Hexahydroanthracene
• CAS No.: 5910-28-1
• Molecular Formula: C14H16
• Molecular Weight: 184.281
• European Community (EC) Number: 227-621-1
• UNII: B98LQ6MM6N
• DSSTox Substance ID: DTXSID60207851
• Nikkaji Number: J149.742A
• Wikidata: Q72481748
• Mol file: 5910-28-1.mol

Synonyms:1,4,5,8,9,10-Hexahydroanthracene;5910-28-1;Anthracene, 1,4,5,8,9,10-hexahydro-;B98LQ6MM6N;EINECS 227-621-1;1,4,5,8,9,10-hexahydro-anthracene;UNII-B98LQ6MM6N;11-DEHYDROTHROMBOXANEB2;DTXSID60207851;AKOS006282585;FT-0635902

Chemical Property of 1,4,5,8,9,10-Hexahydroanthracene

Chemical Property:

• Appearance/Colour: Clear yellow liquid. Nutty, cocoa odor.
• Vapor Pressure: 0.000822mmHg at 25°C
• Melting Point: 147-150 °C
• Refractive Index: 1.59
• Boiling Point: 315.2 °C at 760 mmHg
• Flash Point: 120.4 °C
• PSA: 0.00000
• Density: 1.04 g/cm³
• LogP: 4.07340
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.125200510
• Heavy Atom Count: 14
• Complexity: 305

Purity/Quality:

98%Min ^*data from raw suppliers

1,4,5,8,9,10-HEXAHYDROANTHRACENE 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=C1CC3=C(C2)CC=CC3

Technology Process of 1,4,5,8,9,10-Hexahydroanthracene

There total 10 articles about 1,4,5,8,9,10-Hexahydroanthracene 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: 91.0%

anthracene (120-12-7) → 1,4,5,8,9,10-hexahydroanthracene (5910-28-1)

Guidance literature:

With lithium; tert-butyl alcohol; In tetrahydrofuran; at -10 - 0 ℃; for 9.33333h; Inert atmosphere;

Reference yield: 63.0%

anthracene (120-12-7) → 1,2,3,4,5,6,7,8,9,10-hexahydroanthracene (3485-60-7) + 1,4,5,8,9,10-hexahydroanthracene (5910-28-1)

Guidance literature:

With white sand; calcium; tert-butyl alcohol; In tetrahydrofuran; ethylenediamine; at 0 ℃; for 24h; Yield given;

DOI:10.1016/S0040-4039(01)81168-0

Reference yield: 60.0%

9,10-dihydroanthracene (613-31-0) → 1,4,5,8,9,10-hexahydroanthracene (5910-28-1) + 1,4,9,10-tetrahydroanthracene (5910-31-6)

Guidance literature:

With lithium; In tetrahydrofuran; ammonia; for 4h;

DOI:10.1021/ja00522a033

upstream raw materials:

9,10-dihydroanthracene

anthracene

1,2,3,4,9-Pentachloranthracen

Downstream raw materials:

anthracene

2r,7c;9t,14t-Dimethano-cyclotetradeca-2,4,6,9,11,13-hexaen-1,8-dion

Refernces

• 1、 Harvey,Urberg. "". . p. 2570. Retrieved 1968.
• 2、 -. "Reduction method of electronic salt reaction liquid and unsaturated aromatic hydrocarbon compound". Paragraph 0068-0071. . Retrieved 2021/11/10.
• 3、 Benkeser, Robert A.,Laugal, James A.,Rappa, Angela. "A SAFE AND CONVENIENT NEW PROCEDURE FOR REDUCING AROMATIC COMPOUNDS TO BIRCH-TYPE PRODUCTS". . p. 2089 - 2092. Retrieved 2007/10/02.