Methyl acetoacetate, monosodium salt

Base Information

• Chemical Name: Methyl acetoacetate, monosodium salt
• CAS No.: 34284-28-1
• Molecular Formula: C5H7 O3 . Na
• Molecular Weight: 138.099
• European Community (EC) Number: 251-918-5
• DSSTox Substance ID: DTXSID80955842
• Mol file: 34284-28-1.mol

Synonyms:Methyl acetoacetate, monosodium salt;sodium;methyl 3-oxobutanoate;EINECS 251-918-5;SCHEMBL10705205;DTXSID80955842;Sodium 1-(methoxycarbonyl)-2-oxopropan-1-ide

Chemical Property of Methyl acetoacetate, monosodium salt

Chemical Property:

• Boiling Point: 216.5°Cat760mmHg
• Flash Point: 92.3°C
• PSA: 49.36000
• Density: g/cm³
• LogP: 0.49370
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 138.02928836
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

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

Methyl acetoacetate sodium salt ≥97.0% (T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)[CH-]C(=O)OC.[Na+]

Technology Process of Methyl acetoacetate, monosodium salt

There total 1 articles about Methyl acetoacetate, monosodium salt 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:

acetoacetic acid methyl ester (105-45-3) → sodium methyl acetoacetate (34284-28-1)

Guidance literature:

With sodium methylate; In methanol;

Reference yield: 98.0%

C7H9Fe(CO)2P(OC6H5)3(1+)*PF6(1-) = C7H9Fe(CO)2P(OC6H5)3(PF6) + sodium methyl acetoacetate (34284-28-1) → dicarbonyl[methyl (2-5-η-cyclohepta-2,4-dienyl)acetoacetate](triphenyl phosphite)iron (91604-73-8)

Guidance literature:

In not given; by procedure of Pearson, A. J. J. Chem. Soc., Perkin Trans. 1 1977, 2069; purifn. by preparative TLC;

DOI:10.1021/ja00332a050

Reference yield: 96.0%

sodium methyl acetoacetate (34284-28-1) + benzyl alcohol (100-51-6,185532-71-2) → 2-benzyl-3-oxo-butyric acid methyl ester (3666-82-8)

Guidance literature:

benzyl alcohol; With trifluoromethylsulfonic anhydride; 1,1'-sulfinylbisbenzene; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; In toluene; at -78 ℃; for 1h;

sodium methyl acetoacetate; In tetrahydrofuran; toluene; at -78 - 20 ℃;

DOI:10.1246/cl.2004.8

upstream raw materials:

acetoacetic acid methyl ester

Downstream raw materials:

methyl 2,4,4-trimethyl-5-methylene-4,5-dihydro-3-furoate

5-methoxy-2,4,4,5-tetramethyl-4,5-dihydro-furan-3-carboxylic acid methyl ester

methyl 5-methyl-2,4-hexadienoate

2-Methyl-6-(2-methyl-propenyl)-4-oxo-cyclohex-2-enecarboxylic acid methyl ester

Refernces

• 1、 Mori, Kenji,Yang, Chang Yeol. "Pheromone synthesis. Part 259: Synthesis of seven methyl-branched hydrocarbons as the pheromone candidates for female Korean apricot wasp, Eurytoma maslovskii". . p. 4593 - 4607. Retrieved 2016/07/07.
• 2、 -. "PYRAZOLE COMPOUNDS AND USE THEREOF". Page/Page column 31. . Retrieved 2009/05/29.