epsilon-Carotene

Base Information

Chemical Name:epsilon-Carotene
CAS No.:38894-81-4
Molecular Formula:C₄₀H₅₆
Molecular Weight:536.885
Hs Code.:
DSSTox Substance ID:DTXSID30332225
Wikipedia:%CE%95-Carotene
Wikidata:Q5383942

Synonyms:epsilon-Carotene;epsilon,epsilon-carotene;38894-81-4;1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene;CHEBI:32549;DTXSID30332225;Q5383942

Suppliers and Price of epsilon-Carotene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of epsilon-Carotene

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:: SDS file from LookChem

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(C1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2C(CCC=C2C)(C)C)\C)\C)/C)/C)(C)C

Technology Process of epsilon-Carotene

There total 8 articles about epsilon-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: 75.0%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 108886-28-8
(+/-)-<3-Methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-yl>phosphonsaeure-diethylester

: 38894-81-4
epsilon-carotene

Guidance literature:: With sodium t-butanolate; In tetrahydrofuran; dimethyl sulfoxide; toluene; at 10 ℃; for 12.3h;
DOI:10.1055/s-0034-1378941

Reference yield:

: 58102-02-6
(3E)-2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal

: 38894-81-4
epsilon-carotene

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / toluene / 1 h / 10 - 15 °C / Inert atmosphere

1.2: 1 h / 10 - 15 °C

2.1: sodium t-butanolate / dimethyl sulfoxide; toluene / 3.5 h / -15 °C / Inert atmosphere

3.1: sodium t-butanolate / tetrahydrofuran; dimethyl sulfoxide; toluene / 12.3 h / 10 °C

With sodium hydride; sodium t-butanolate; In tetrahydrofuran; dimethyl sulfoxide; toluene; 3.1: |Wittig-Horner Reaction;
DOI:10.1055/s-0034-1378941

Reference yield:

: 6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dien-1-yl]-1,5,5-trimethylcyclohexene

: 38894-81-4
epsilon-carotene

Guidance literature:: Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid; water / tetrahydrofuran / 24 h / 20 - 25 °C / Inert atmosphere

2.1: sodium hydride / toluene / 1 h / 10 - 15 °C / Inert atmosphere

2.2: 1 h / 10 - 15 °C

3.1: sodium t-butanolate / dimethyl sulfoxide; toluene / 3.5 h / -15 °C / Inert atmosphere

4.1: sodium t-butanolate / tetrahydrofuran; dimethyl sulfoxide; toluene / 12.3 h / 10 °C

With water; sodium hydride; toluene-4-sulfonic acid; sodium t-butanolate; In tetrahydrofuran; dimethyl sulfoxide; toluene; 4.1: |Wittig-Horner Reaction;
DOI:10.1055/s-0034-1378941