3,4-Didehydroretinoic acid

Base Information

Chemical Name:3,4-Didehydroretinoic acid
CAS No.:4159-20-0
Molecular Formula:C20H26O2
Molecular Weight:298.425
Hs Code.:
DSSTox Substance ID:DTXSID101310910
Nikkaji Number:J39.475K
Wikidata:Q76115673
Metabolomics Workbench ID:29043
Mol file:4159-20-0.mol

Synonyms:3,4-didehydroretinoic acid;3,4-didehydroretinoic acid, sodium salt

Suppliers and Price of 3,4-Didehydroretinoic 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-trans-3,4-DidehydroRetinoicAcid
2.5mg
$ 180.00

TRC
all-trans-3,4-DidehydroRetinoicAcid
25mg
$ 1390.00

American Custom Chemicals Corporation
3,4-DIDEHYDRORETINOIC ACID 95.00%
5MG
$ 499.03

Total 4 raw suppliers

Chemical Property of 3,4-Didehydroretinoic acid

Chemical Property:

Vapor Pressure:4.63E-10mmHg at 25°C
Melting Point:175-177 °C
Boiling Point:468.2°Cat760mmHg
PKA:4.73±0.33(Predicted)
Flash Point:355.1°C
PSA：37.30000
Density:1.027g/cm³
LogP:5.37860
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:298.193280068
Heavy Atom Count:22
Complexity:606

Purity/Quality:

97% ^*data from raw suppliers

all-trans-3,4-DidehydroRetinoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CC=C1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
Isomeric SMILES:CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
Uses A Retinoic Acid derivative for the treatment of neuroinflammatory conditions.

Technology Process of 3,4-Didehydroretinoic acid

There total 15 articles about 3,4-Didehydroretinoic 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:

: 24041-43-8,25428-47-1,25428-48-2,25537-54-6,62697-31-8
methyl 9,13-dimethyl-7-(1,1,5-trimethyl-3,5-cyclohexadien-6-yl)-7,9,11,13-nonatetraen-15-oate

: 4159-20-0,115397-00-7,20089-81-0
3,4-didehydroretinoic acid

: 111957-73-4,115397-00-7,20089-81-0
(7E,9E,11E,13Z)-9,13-dimethyl-7-(1,1,5-trimethyl-3,5-cyclohexadien-6-yl)-7,9,11,13-nonatetraen-15-oic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 60 ℃; for 2h; Yield given. Yields of byproduct given;

Reference yield:

: 25528-85-2
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexa-1,3-dienyl)penta-2,4-dien-1-ol

: 4159-20-0,115397-00-7,20089-81-0
3,4-didehydroretinoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: MnO₂ / acetone; petroleum ether

2: (i) NaNH₂, THF, (ii) KOH, EtOH

With manganese(IV) oxide; In acetone; Petroleum ether;

Reference yield:

: 6901-91-3
9-trans-Dehydro-β-jonyliden-essigsaeure

: 4159-20-0,115397-00-7,20089-81-0
3,4-didehydroretinoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether

2: MnO₂ / acetone; petroleum ether

3: (i) NaNH₂, THF, (ii) KOH, EtOH

With manganese(IV) oxide; lithium aluminium tetrahydride; In diethyl ether; acetone; Petroleum ether;