all-trans-5,6-Epoxyretinoic acid

Base Information

Chemical Name:all-trans-5,6-Epoxyretinoic acid
CAS No.:13100-69-1
Molecular Formula:C₂₀H₂₈O₃
Molecular Weight:316.441
Hs Code.:
DSSTox Substance ID:DTXSID70927033
Nikkaji Number:J121.832H
Wikidata:Q27149703
Metabolomics Workbench ID:72187
ChEMBL ID:CHEMBL455053
Mol file:13100-69-1.mol

Synonyms:5,6-epoxyretinoic acid;5,6-epoxyretinoic acid, (13-cis)-isomer;5,6-epoxyretinoic acid, sodium salt

Suppliers and Price of all-trans-5,6-Epoxyretinoic 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

TRC
all-trans5,6-EpoxyRetinoicAcid
1mg
$ 185.00

TRC
all-trans5,6-EpoxyRetinoicAcid
10mg
$ 1455.00

Cayman Chemical
all-trans-5,6-epoxy Retinoic Acid ≥96%
1mg
$ 285.00

Cayman Chemical
all-trans-5,6-epoxy Retinoic Acid ≥96%
500μg
$ 150.00

Total 8 raw suppliers

Chemical Property of all-trans-5,6-Epoxyretinoic acid

Chemical Property:

Vapor Pressure:1.48E-09mmHg at 25°C
Melting Point:160-162°C
Refractive Index:1.578
Boiling Point:455.3°C at 760 mmHg
Flash Point:155.1°C
PSA：49.83000
Density:1.101g/cm³
LogP:4.81380
Storage Temp.:Amber Vial, -20°C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Very Slightly)
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:316.20384475
Heavy Atom Count:23
Complexity:606

Purity/Quality:

97% ^*data from raw suppliers

all-trans5,6-EpoxyRetinoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC=CC(=CC(=O)O)C)C=CC12C(CCCC1(O2)C)(C)C
Isomeric SMILES:C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C12C(CCCC1(O2)C)(C)C
Uses A metabolite of all-trans Retinoic acid (R250200).

Technology Process of all-trans-5,6-Epoxyretinoic acid

There total 7 articles about all-trans-5,6-Epoxyretinoic 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: 72.0%

: 7432-30-6
Methyl ester of 5,6-epoxy-(E)-retinoic acid

: 13100-69-1,1431303-55-7,81444-57-7
all-trans-5,6-Epoxyretinoic acid

Guidance literature:: With potassium hydroxide; In methanol; water; for 14h; Heating;
DOI:10.1023/A:1021245616117

Reference yield:

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

: 13100-69-1,1431303-55-7,81444-57-7
all-trans-5,6-Epoxyretinoic acid

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

Guidance literature:: With oxygen; In benzene; at 82 ℃; for 2.75h; under 760 Torr; Yield given. Yields of byproduct given;
DOI:10.1016/S0040-4020(01)85785-9

Reference yield:

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

: 13100-69-1,1431303-55-7,81444-57-7
all-trans-5,6-Epoxyretinoic acid

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

: 129454-96-2
5,8-epidioxy-5,8-dihydroretinoic 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

: 5-hydroxy-8-oxo-6,7-dihydroretinoic acid

Guidance literature:: With oxygen; In ethanol; at 30 ℃; under 3800 - 30400 Torr; Product distribution; Mechanism; various conditions;
DOI:10.1021/ja970774o