epsilon-Carotene, (6S,6'S)-

Base Information

• Chemical Name: epsilon-Carotene, (6S,6'S)-
• CAS No.: 125411-81-6
• Molecular Formula: C₄₀H₅₆
• Molecular Weight: 536.885
• UNII: V162M4E35G
• Wikidata: Q27291398
• Mol file: 125411-81-6.mol

Synonyms:epsilon-Carotene, (6S,6'S)-;V162M4E35G;UNII-V162M4E35G;(6S,6'S)-epsilon,epsilon-Carotene;125411-81-6;epsilon,epsilon-Carotene, (6S,6'S)-;(All-E)-3,3'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,4,4-trimethylcyclohexene), (S,S)-;(6S,6'S)-epsilon-carotene;.EPSILON.-CAROTENE, (6S,6'S)-;(6S,6'S)-.EPSILON.,.EPSILON.-CAROTENE;.EPSILON.,.EPSILON.-CAROTENE, (6S,6'S)-;Q27291398

Chemical Property of epsilon-Carotene, (6S,6'S)-

Chemical Property:

• XLogP3: 13.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 536.438201786
• Heavy Atom Count: 40
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C)(C)C
• Isomeric SMILES: CC1=CCCC([C@@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]2C(CCC=C2C)(C)C)\C)\C)/C)/C)(C)C

Technology Process of epsilon-Carotene, (6S,6'S)-

There total 5 articles about epsilon-Carotene, (6S,6'S)- 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:

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7) + 5-(2',2',6'-trimethylclohex-5'-enyl)-3-methylpenta-2,4-dien-1-yltriphenylphosphonium bromide (62930-50-1) → (6RS,6'RS)-ε,ε-carotene (472-89-9,38894-81-4,52617-44-4,125411-81-6)

Guidance literature:

With n-butyllithium; In diethyl ether; dichloromethane;

DOI:10.1039/jr9650002019

Reference yield:

(E)-4-octene-2,7-dione (125069-77-4,268750-56-7) → (6RS,6'RS)-ε,ε-carotene (472-89-9,38894-81-4,52617-44-4,125411-81-6)

Guidance literature:

With diethyl ether; ethylmagnesium bromide; copper(l) chloride; Reagens 4: Palladium/BaSO₄; Reagens 5: Aethylacetat; Reagens 6: Toluol; Reagens 7: Toluol-4-sulfonsaeure; Reagens 8: Jod; Reagens 9: Petrolaether; Darstellung ueber mehrere Stufen;

DOI:10.1002/hlca.19690520627 DOI:10.1002/hlca.19500330605

Reference yield:

(6S,6'S)-ε,ε-carotene (125411-81-6) + ε-carotene (472-89-9) → (6RS,6'RS)-ε,ε-carotene (472-89-9,38894-81-4,52617-44-4,125411-81-6)

Guidance literature:

upstream raw materials:

ε-carotene

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

5-(2',2',6'-trimethylclohex-5'-enyl)-3-methylpenta-2,4-dien-1-yltriphenylphosphonium bromide

(E)-4-octene-2,7-dione

Downstream raw materials:

(6RS,6'RS)-ε,ε-carotene