Agn-PC-0nihf6

Base Information

• Chemical Name: Agn-PC-0nihf6
• CAS No.: 7277-84-1
• Molecular Formula: C₁₈H₂₀
• Molecular Weight: 236.357
• DSSTox Substance ID: DTXSID20486903
• Nikkaji Number: J14.086D
• Wikidata: Q82328500
• Mol file: 7277-84-1.mol

Synonyms:AGN-PC-0NIHF6;7277-84-1;DTXSID20486903

Chemical Property of Agn-PC-0nihf6

Chemical Property:

• PSA: 0.00000
• LogP: 4.35060
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 236.156500638
• Heavy Atom Count: 18
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=CC=C(CCC3=CC=C(C1)C=C3)C=C2

Technology Process of Agn-PC-0nihf6

There total 20 articles about Agn-PC-0nihf6 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: 68.0%

2,13-dithia[5.3]paracyclophane 2,2,13,13-tetraoxide (1133314-18-7) → <2.4>Paracyclophan (7277-84-1)

Guidance literature:

at 600 ℃; under 0.1 Torr; Inert atmosphere;

DOI:10.1002/ejoc.200800494

Reference yield:

[2.2]Paracyclophan (1633-22-3) → <2.4>Paracyclophan (7277-84-1)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) NBS, (PhCO)2O, (ii) silica gel

2: MeOH

3: N₂H₄, KOH / 195 °C

With methanol; potassium hydroxide; hydrazine;

DOI:10.1021/ja00967a010

Reference yield:

rac.trans-2.3-Dicarboxy-<2.4>paracyclophan (24417-90-1) → <2.4>Paracyclophan (7277-84-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Pb(OAc)4, LiCl, Py

2: Li / 2-methyl-propan-2-ol; tetrahydrofuran / Heating

With pyridine; lead(IV) acetate; lithium; lithium chloride; In tetrahydrofuran; tert-butyl alcohol;

DOI:10.1021/ja00988a068

upstream raw materials:

1,4-bis[4-(bromomethyl)phenyl]butane

styrene

dispiro<2.2.2.2>deca-4,9-diene

1-Oxo-<4.2>paracyclophan

Refernces

• 1、 Delton,M.H.,Cram,D.J.. "-". . p. 1669 - 1675. Retrieved 1972.
• 2、 Font-Sanchis, Enrique,Miranda, Miguel A.,Perez-Prieto, Julia,Scaiano. "Laser flash photolysis of [3,n]paracyclophan-2-ones. Direct observation and chemical behavior of 4,4′-(1,n-alkanediyl)bisbenzyl biradicals". . p. 6131 - 6135. Retrieved 2007/10/03.