Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene

Base Information

• Chemical Name: Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene
• CAS No.: 7130-24-7
• Molecular Formula: C₂₄H₂₀
• Molecular Weight: 308.423
• Nikkaji Number: J53.038G
• Mol file: 7130-24-7.mol

Synonyms:Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene;Pentacyclo(10.4.4.44,9.05,21.016,20)tetracosa-1(17),4,6,8,12,14,16(20),18,21,23-decaene;Pentacyclo[10.4.4.44,9.06,23.015,19]tetracosa-4,6,8,12,14,16,17,21,23-decaene;Pentacyclo(11.5.3.34,10.07,23.016,20)tetracosa-1(19)4,6,8,10,(22),13,15,17,20,23-decaene;Pentacyclo[10.4.4.44,9.05,21.016,20]tetracosa-1(17),4,6,8,12,14,16(20),18,21,23-decaene;Pentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19)4,6,8,10,(22),13,15,17,20,23-decaene;[2.2](2,6)-Naphthalenophane;YOFPSRWBZCXYAY-UHFFFAOYSA-N;54835-57-3;73608-51-2;7130-24-7;Pentacyclo[10.4.4.44,9.05,21.016,20]tetracosa-1(17),4,6,8,12,14,16(20),18,21,23-decaene, achiral stereoisomer;Pentacyclo[10.4.4.44,9.06,22.015,19]tetracosa-4,6,8,12,14,16,17,19,21,23-decaene

Chemical Property of Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene

Chemical Property:

• Vapor Pressure: 1.12E-09mmHg at 25°C
• Boiling Point: 501°Cat760mmHg
• Flash Point: 252.8°C
• PSA: 0.00000
• Density: 1.143g/cm³
• LogP: 5.87680
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 308.156500638
• Heavy Atom Count: 24
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC3=C(C=C2)C=C(CCC4=CC5=C(C=C4)C=C1C=C5)C=C3

Technology Process of Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene

There total 6 articles about Pentacyclo(10.4.4.44,9.06,23.015,19)tetracosa-4,6,8,12,14,16,17,21,23-decaene 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: 22.0%

2,7-bis(bromomethyl)naphthalene (38309-89-6) → 1,4-di-(2,7)naphtha-cyclohexane (7130-24-7,61849-91-0,61849-92-1)

Guidance literature:

With phenyllithium; In hexane; benzene; at 60 ℃; Inert atmosphere;

DOI:10.1139/cjc-2016-0583

Reference yield: 16.0%

2,7-bis(bromomethyl)naphthalene (38309-89-6) → 1,4-di-(2,7)naphtha-cyclohexane (7130-24-7,61849-91-0,61849-92-1) + C36H30

Guidance literature:

With phenyllithium; In hexane; benzene; at 60 ℃; for 3.63333h; Inert atmosphere;

DOI:10.1139/cjc-2016-0583

Reference yield:

2,7-dimethylnaphthalene (582-16-1) → 1,4-di-(2,7)naphtha-cyclohexane (7130-24-7,61849-91-0,61849-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dibenzoyl peroxide; CCl₄; N-bromo-succinimide

2: sodium; dioxane; NaI

With 1,4-dioxane; tetrachloromethane; N-Bromosuccinimide; sodium; sodium iodide; dibenzoyl peroxide;

DOI:10.1016/S1464-1909(00)00093-9

upstream raw materials:

2,7-bis(bromomethyl)naphthalene

2,7-dimethylnaphthalene

Downstream raw materials:

Coronene

Refernces