Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer

Base Information

• Chemical Name: Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer
• CAS No.: 17594-47-7
• Molecular Formula: 4Ba*8C₁₁H₁₉O₂
• Molecular Weight: 2015.49
• Hs Code.: 2805191000
• European Community (EC) Number: 623-687-4
• Mol file: 17594-47-7.mol

Synonyms:17594-47-7;Barium 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;BARIUM (2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE) TETRAMER;Barium bis(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate;Ba(TMHD)2;NYBMVAOYALBBBH-ATMONBRVSA-L;Barium2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate

Chemical Property of Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer

Chemical Property:

• Melting Point: 175-180 °C(lit.)
• Boiling Point: 225°C 0,05mm
• Flash Point: 225°C 0,05mm
• PSA: 52.60000
• LogP: 6.02500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 504.182257
• Heavy Atom Count: 27
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)barium hydrate [Ba(TMHD)2] ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 20/22-36/37/38-23/24/25
• Safety Statements: 28-45-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ba+2]
• Isomeric SMILES: CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Ba+2]
• Uses: MOCVD of superconductors

Technology Process of Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer

There total 2 articles about Barium (2,2,6,6-tetramethyl-3,5-heptanedionate) tetramer 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: 43.0%

Cu(2+)*Ba(2+)*2OC4H9(1-)*2CH(COC4H9)2(1-)=CuBa(OC4H9)2[CH(COC4H9)2]2 → barium dipivaloylmethanate (17594-47-7) + Cu3[CH(COC4H9)2]3(OC4H9)3 (173210-57-6)

Guidance literature:

In diethyl ether; (dry N2); react., cooling (4°C); elem. anal.;

DOI:10.1016/0277-5387(95)00295-4

Reference yield:

Ba(2+)*2C4H9C(O)CHC(O)C4H9(1-)*2H2O=Ba(C4H9C(O)CHC(O)C4H9)2*2H2O → barium dipivaloylmethanate (17594-47-7)

Guidance literature:

byproducts: H2O; dehydration and sublimation (220°C, 0.01 mm Hg); elem. anal.;

Refernces

• 1、 Labrize, Florence,Hubert-Pfalzgraf, Liliane G.,Vaissermann, Jacqueline,Knobler, Carolyn B.. "Reactivity of mixed-metal BaCu and BaY β-diketonatoalkoxides with Lewis bases.". . p. 577 - 589. Retrieved 2008/10/08.