3-Hydroxy-b,e-caroten-3'-one

Base Information

Chemical Name:3-Hydroxy-b,e-caroten-3'-one
CAS No.:32729-11-6
Molecular Formula:C₄₀H₅₄O₂
Molecular Weight:566.868
Hs Code.:
NSC Number:713075
Metabolomics Workbench ID:38335
ChEMBL ID:CHEMBL1999562

Synonyms:3-Hydroxy-b,e-caroten-3'-one;NSC713075;(3R,.epsilon.-caroten-3-one;SCHEMBL1323854;CHEMBL1999562;NSC-713075;4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

Suppliers and Price of 3-Hydroxy-b,e-caroten-3'-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-Hydroxy-b,e-caroten-3'-one

Chemical Property:

XLogP3:10.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:566.412380961
Heavy Atom Count:42
Complexity:1320

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C
Isomeric SMILES:CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(=O)CC2(C)C)C)/C)/C

Technology Process of 3-Hydroxy-b,e-caroten-3'-one

There total 3 articles about 3-Hydroxy-b,e-caroten-3'-one 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: 92.0%

: 76686-31-2
[(2E,4E)-(R)-5-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium chloride

: 143077-43-4
3-oxo-12'-apo-ε-caroten-12'-al

: 23984-55-6,32729-11-6,97134-08-2,143167-27-5,143167-31-1
(3R,6'RS)-3-hydroxy-β,ε-caroten-3'-one

Guidance literature:: With sodium methylate; In methanol; dichloromethane; at -20 ℃;
DOI:10.1021/ac00042a016

Reference yield:

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

: 23984-55-6,32729-11-6,97134-08-2,143167-27-5,143167-31-1
(3R,6'RS)-3-hydroxy-β,ε-caroten-3'-one

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / NaOMe / methanol; CH₂Cl₂ / -20 °C

2: 92 percent / NaOMe / methanol; CH₂Cl₂ / -20 °C

With sodium methylate; In methanol; dichloromethane;
DOI:10.1021/ac00042a016

Reference yield:

: 83020-78-4
<(2'E,4'E)-5'-(2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3'-methyl-2',4'-pentadienyl>triphenylphosphonium chloride

: 23984-55-6,32729-11-6,97134-08-2,143167-27-5,143167-31-1
(3R,6'RS)-3-hydroxy-β,ε-caroten-3'-one

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / NaOMe / methanol; CH₂Cl₂ / -20 °C

2: 92 percent / NaOMe / methanol; CH₂Cl₂ / -20 °C

With sodium methylate; In methanol; dichloromethane;
DOI:10.1021/ac00042a016