3-Epiuzarigenin

Base Information

• Chemical Name: 3-Epiuzarigenin
• CAS No.: 4972-49-0
• Molecular Formula: C12H12 N2 O2
• Molecular Weight: 216.239
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60274503
• Mol file: 4972-49-0.mol

Synonyms:3-Epiuzarigenin;3-alpha,14-Dihydroxy-5-alpha-card-20(22)-enolide;5-alpha-CARD-20(22)-ENOLIDE, 3-alpha,14-DIHYDROXY-;Card-20(22)-enolide, 3,14-dihydroxy-, (3-alpha,5-alpha)-;Card-20(22)-enolide, 3,14-dihydroxy-, (3-alpha,5-alpha)- (9CI);DTXSID60274503;LS-52414

Chemical Property of 3-Epiuzarigenin

Chemical Property:

• Melting Point: 211-213 °C
• Boiling Point: 451.1±40.0 °C(Predicted)
• PKA: 12.01±0.20(Predicted)
• PSA: 66.76000
• Density: 1.303±0.06 g/cm3(Predicted)
• LogP: 3.60430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 374.24570956
• Heavy Atom Count: 27
• Complexity: 686

Purity/Quality:

98%,99%, ^*data from raw suppliers

meso-alpha,beta-Di(4-pyridyl) Glycol >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O

Technology Process of 3-Epiuzarigenin

There total 7 articles about 3-Epiuzarigenin 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:

pyridine-4-carbaldehyde (872-85-5) → pyridine-4-methanol (586-95-8) + 1,2-di(pyridin-4-yl)ethane-1,2-diol (5486-06-6) + meso-α,β-bi(4-pyridyl) glycol (4972-49-0)

Guidance literature:

In 1,2-dimethoxyethane; at 25 ℃; for 12h; Product distribution; Mechanism; controlled-potential electrolysis: different pH's, potentials;

DOI:10.1021/jo00322a032

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → meso-α,β-bi(4-pyridyl) glycol (4972-49-0) + dl-1,2-bis(4'-pyridyl)-1,2-ethanediol (4972-49-0,5486-06-6,6950-04-5,19793-83-0)

Guidance literature:

With titanium(III) chloride; sodium carbonate; In water; acetic acid; for 7h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/0040-4020(82)85116-8

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → meso-α,β-bi(4-pyridyl) glycol (4972-49-0) + dl-1,2-bis(4'-pyridyl)-1,2-ethanediol (4972-49-0,5486-06-6,6950-04-5,19793-83-0)

Guidance literature:

With titanium(III) chloride; sodium carbonate; In water; acetic acid; for 7h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/0040-4020(82)85116-8

upstream raw materials:

pyridine-4-carbaldehyde

dl-1,2-bis(4'-pyridyl)-1,2-ethanediol

Downstream raw materials:

(+)-1,2-di-[4]pyridyl-ethane-1,2-diol

(-)-1,2-di-[4]pyridyl-ethane-1,2-diol

Refernces

• 1、 Clerici, Angelo,Porta, Ombretta. "REDUCTIVE REACTIONS OF SUBSTITUTED PYRIDINES BY AQUEOUS TITANIUM TRICHLORIDE". . p. 1293 - 1297. Retrieved 2007/10/02.