(E)-4-hydroxypent-3-en-2-one;scandium

Base Information

• Chemical Name: (E)-4-hydroxypent-3-en-2-one;scandium
• CAS No.: 14284-94-7
• Molecular Formula: C15H21O6Sc
• Molecular Weight: 342.284
• Hs Code.: 2918300090
• European Community (EC) Number: 238-194-6
• Mol file: 14284-94-7.mol

Synonyms:14284-94-7;Scandium,tris(2,4-pentanedionato-ko2,ko4)-,(oc-6-11)-

Chemical Property of (E)-4-hydroxypent-3-en-2-one;scandium

Chemical Property:

• Melting Point: 174-186 °C (lit.)
• Boiling Point: 187.6 °C at 760 mmHg
• Flash Point: 71.9 °C
• PSA: 78.90000
• LogP: 2.88030
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 345.113196
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

98%Min ^*data from raw suppliers

Scandium ACAC 99.9% (REO) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Sc]
• Isomeric SMILES: C/C(=C\C(=O)C)/O.C/C(=C\C(=O)C)/O.C/C(=C\C(=O)C)/O.[Sc]

Technology Process of (E)-4-hydroxypent-3-en-2-one;scandium

There total 6 articles about (E)-4-hydroxypent-3-en-2-one;scandium 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: 85.0%

scandium(III) oxide + acetylacetone (123-54-6,81235-32-7) → tris(acetylacetonato)scandium(III) (14284-94-7)

Guidance literature:

With pyridine; hydrogenchloride; In water; under high vac.; addn. of concd. HCl to suspended Sc2O3; heating for 1-2 h (til complete dissoln.); dilution (H2O); addn. of pentadione; dropwise addn. of pyridine with swirling over a 15 min period; pptn.; filtration; washed (water); dried in vac. for 12 h;

DOI:10.1016/0022-328X(91)83139-U

Reference yield: 62.0%

iron(II) acetylacetonate + (η5-C5(CD3)5)2ScCl → tris(acetylacetonato)scandium(III) (14284-94-7) + (η5-C5(CD3)5)2Fe

Guidance literature:

In toluene; byproducts: FeCl2; refluxing (12 h), solvent removal (reduced pressure); extraction (pentane), drying, sublimation; (1)H impurity <0.03% (MS);

DOI:10.1039/C39880000491

Reference yield: 32.0%

scandium(III) chloride (10361-84-9) + sodium (Z)-4-oxopent-2-en-2-olate (1118-67-8) → tris(acetylacetonato)scandium(III) (14284-94-7)

Guidance literature:

In solid; solid-state synthesis from ScCl3 (4.6 mmol) and NaCH3COCHCOCH3 (18.0 mmol) by mechanical activation (vibrating quartz vessel for 2 h at 5 Hz); transferring product into dry box under inert atmosphere;; vac. sublimation (0.1 torr) at 150-200°C bath temp.;;

upstream raw materials:

scandium(III) chloride

acetylacetone

sodium (Z)-4-oxopent-2-en-2-olate

Downstream raw materials:

(((CH₃)2N)2C₆H₃CH₂C(COCH₃)2)(CH₃COCHCOCH₃)2Sc

(((CH₃)2N)2C₆H₃CH₂C(COCH₃)2)3Sc

Refernces

• 1、 O'Hare, Dermot,Manriquez, Juan,Miller, Joel S.. "A convenient synthesis of C5(CD3)5H. Synthesis and characterisation of Fe{η5-C5(CD 3)5}2". . p. 491 - 493. Retrieved 1988.
• 2、 Selvakumar,Raghunathan,Nagaraja. "Sublimation kinetics of scandium β-diketonates". . p. 155 - 161. Retrieved 2010.
• 3、 Hatakeyama, Yoshihiro,Kido, Hiroaki,Harada, Masayuki,Tomiyasu, Hiroshi,Fukutomi, Hiroshi. "Rate and mechanism of ligand exchange of tris(acetylacetonato)scandium(III) in acetonitrile". . p. 992 - 996. Retrieved 2008/10/08.