Isorenieratene

Base Information

• Chemical Name: Isorenieratene
• CAS No.: 524-01-6
• Molecular Formula: C40H48
• Molecular Weight: 528.821
• UNII: L8X7K8799E
• DSSTox Substance ID: DTXSID60433638
• Nikkaji Number: J450.759B
• Wikipedia: Isorenieratene
• Wikidata: Q10859788
• Metabolomics Workbench ID: 28884
• Mol file: 524-01-6.mol

Synonyms:isorenieratene

Chemical Property of Isorenieratene

Chemical Property:

• XLogP3: 14
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 528.375601531
• Heavy Atom Count: 40
• Complexity: 962

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C=CC(=C2C)C)C)C)C)C
• Isomeric SMILES: CC1=C(C(=C(C=C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C=CC(=C2C)C)C)\C)\C)/C)/C)C

Technology Process of Isorenieratene

There total 16 articles about Isorenieratene 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: 85.0%

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenenal (73435-80-0) → isorenieratene (524-01-6)

Guidance literature:

With lithium aluminium tetrahydride; titanium(III) chloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1002/hlca.200390273

Reference yield: 51.0%

7,9-dicis isorenieratene (524-01-6,4382-05-2,4382-06-3,84773-18-2,92934-56-0,105118-23-8) → isorenieratene (524-01-6)

Guidance literature:

iodine; In benzene; Irradiation;

Reference yield:

crocetindial (502-70-5) + (2,3,6-trimethylbenzyl)triphenylphosphonium bromide (54756-73-9) → isorenieratene (524-01-6)

Guidance literature:

With n-butyllithium;

DOI:10.1039/jr9630005637

upstream raw materials:

Oct-4-en-2,7-dion

4-Methyl-6-(2',3',6'-trimethyl-phenyl)-hexen-⁽⁵⁾-in-⁽¹⁾-ol-⁽⁴⁾

7,9-dicis isorenieratene

crocetindial

Downstream raw materials:

8'-apo-φ-caroten-8'-al

Refernces

• 1、 Lutnaes, Bjart Frode,Kildahl-Andersen, Geir,Krane, Jostein,Liaaen-Jensen, Synnove. "Delocalized carotenoid cations in relation to the soliton model". . p. 8981 - 8990. Retrieved 2007/10/03.
• 2、 Schaeffer, Philippe,Adam, Pierre,Wehrung, Patrick,Albrecht, Pierre. "Novel aromatic carotenoid derivatives from sulfur photosynthetic bacteria in sediments". . p. 8413 - 8416. Retrieved 2007/10/03.