5,8-Monoepoxyretinoic acid

Base Information

Chemical Name:5,8-Monoepoxyretinoic acid
CAS No.:3012-76-8
Molecular Formula:C₂₀H₂₈O₃
Molecular Weight:316.441
Hs Code.:
DSSTox Substance ID:DTXSID001112327
Mol file:3012-76-8.mol

Synonyms:5,8-Monoepoxyretinoic acid;3012-76-8;Retinoic acid, 5,8-epoxy-5,8-dihydro-;(2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid;(2E,4E,6E)-7-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-3-me thyl-octa-2,4,6-trienoic acid;all-trans 5,8-Epoxy Retinoic Acid;5,8-Epoxytretinoin;SCHEMBL18962541;QDOSIDVGVRAXSE-JUPVTLSTSA-N;DTXSID001112327;UNII-P76208810L;(2E,4E,6E)-7-(2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethyl-2-benzofuranyl)-3-methyl-2,4,6-octatrienoic Acid;P76208810L;(2E,4E,6E)-7-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3-methyl-2,4,6-octatrienoic acid #

Suppliers and Price of 5,8-Monoepoxyretinoic acid

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 10 raw suppliers

Chemical Property of 5,8-Monoepoxyretinoic acid

Chemical Property:

Vapor Pressure:5.62E-10mmHg at 25°C
Melting Point:154-156°C
Boiling Point:466.1°Cat760mmHg
PKA:4.72±0.33(Predicted)
Flash Point:159.8°C
PSA：46.53000
Density:1.07g/cm³
LogP:5.53420
Storage Temp.:Amber Vial, -86°C Freezer, Under Inert Atmosphere
Solubility.:DCM, Ethyl Acetate, Ether
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:316.20384475
Heavy Atom Count:23
Complexity:604

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(=O)O)C=CC=C(C)C1C=C2C(CCCC2(O1)C)(C)C
Isomeric SMILES:C/C(=C\C(=O)O)/C=C/C=C(\C)/C1C=C2C(CCCC2(O1)C)(C)C
Uses 5,8-Monoepoxyretinoic Acid is an impurity in the synthesis of Ro 22-5112 (R637180), a retinoid that has been used in a QSAR analysis for the use of retinoids as a carcinogenesis inhibitor.

Technology Process of 5,8-Monoepoxyretinoic acid

There total 18 articles about 5,8-Monoepoxyretinoic acid 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:

: 302-79-4
all-trans-retinoic-acid

: 15356-74-8,17092-92-1,19432-05-4,81800-41-1
(+/-)-dihydroactinidiolide

: 79-77-6,14901-07-6
(E)-β-ionone

: 432-25-7
2,6,6-trimethylcyclohex-1-enecarbaldehyde

: 129454-99-5,195991-40-3
2E,4E-2-methyl-6-oxo-2,4-heptadienal

: 129454-95-1
4-ethoxyretinoic acid

: 3012-76-8,112018-12-9,129520-10-1,129520-11-2
trans-5,8-epoxy-5,8-dihydroretinoic acid

Guidance literature:: With oxygen; In ethanol; water; at 85.5 ℃; for 8h; under 760 Torr; Product distribution; Kinetics; Thermodynamic data; ΔE(excit.); different ratios of O2, solvent, reaction times and temperatures;
DOI:10.1016/S0040-4020(01)85785-9

Reference yield:

: 302-79-4
all-trans-retinoic-acid

: 73341-58-9,102491-35-0
5,6-dihydro-5,6-dihydroxyretinoic acid

: 3012-76-8,112018-12-9,129520-10-1,129520-11-2
trans-5,8-epoxy-5,8-dihydroretinoic acid

: 3012-76-8,112018-12-9,129520-10-1,129520-11-2
cis-5,8-epoxy-5,8-dihydroretinoic acid

: 129454-98-4,129520-13-4
9-trans-9,10-epoxyretinoic acid

Guidance literature:: With air; In ethanol; water; at 25 ℃; for 2160h; under 760 Torr; Yield given. Further byproducts given. Yields of byproduct given;
DOI:10.1016/S0040-4020(01)85785-9

Reference yield:

: 302-79-4
all-trans-retinoic-acid

: 73341-58-9,102491-35-0
5,6-dihydro-5,6-dihydroxyretinoic acid

: 3012-76-8,112018-12-9,129520-10-1,129520-11-2
trans-5,8-epoxy-5,8-dihydroretinoic acid

: 3012-76-8,112018-12-9,129520-10-1,129520-11-2
cis-5,8-epoxy-5,8-dihydroretinoic acid

: 129454-98-4,129520-13-4
9-trans-9,10-epoxyretinoic acid

Guidance literature:: With air; In ethanol; water; at 25 ℃; for 2160h; under 760 Torr; Yield given. Further byproducts given. Yields of byproduct given;
DOI:10.1016/S0040-4020(01)85785-9