zeta-Carotene

Base Information

• Chemical Name: zeta-Carotene
• CAS No.: 13587-06-9
• Molecular Formula: C₄₀H₆₀
• Molecular Weight: 540.916
• DSSTox Substance ID: DTXSID701318417
• Metabolomics Workbench ID: 28981
• Nikkaji Number: J39.830F
• Wikidata: Q8069696,Q27109947
• Wikipedia: %CE%96-Carotene
• Mol file: 13587-06-9.mol

Synonyms:Carotene, zeta;zeta Carotene;zeta-Carotene

Chemical Property of zeta-Carotene

Chemical Property:

• XLogP3: 15.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 540.469501914
• Heavy Atom Count: 40
• Complexity: 967

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C

Technology Process of zeta-Carotene

There total 3 articles about zeta-Carotene 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:

→ phytofluene (13587-06-9,86087-06-1)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide; acetic acid;

DOI:10.1021/ja01640a020

Reference yield:

(E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol (40716-66-3) → phytofluene (13587-06-9,86087-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) PBr₃, (ii) /BRN= 610776/

2: nPrLi / CH₂Cl₂; diethyl ether

With propyllithium; In diethyl ether; dichloromethane;

DOI:10.1039/j39660002154

Reference yield:

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7) + <(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienyl>triphenylphosphoniumbromid (13832-82-1,75499-95-5) → phytofluene (13587-06-9,86087-06-1)

Guidance literature:

With propyllithium; In diethyl ether; dichloromethane;

DOI:10.1039/j39660002154

upstream raw materials:

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

<(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienyl>triphenylphosphoniumbromid

(E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol

Downstream raw materials:

all-trans-neurosporene