Lithium acetoacetate

Base Information

• Chemical Name: Lithium acetoacetate
• CAS No.: 3483-11-2
• Molecular Formula: C4H5LiO3
• Molecular Weight: 108.023
• Hs Code.: 2918300090
• European Community (EC) Number: 628-531-9
• DSSTox Substance ID: DTXSID10188368
• Nikkaji Number: J1.131.766I
• ChEMBL ID: CHEMBL3891157
• Mol file: 3483-11-2.mol

Synonyms:Lithium acetoacetate;3483-11-2;Acetoacetic acid lithium salt;lithium 3-oxobutanoate;LithoTab acetoacetate;Lithium 3-Oxobutyrate;lithium;3-oxobutanoate;34831-10-2;Butanoic acid, 3-oxo-, lithium salt;lithium3-oxobutanoate;lithium,3-oxobutanoate;SCHEMBL1060966;3-Oxobutanoic acid lithium salt;3-Oxobutyric Acid Lithium Salt;CHEMBL3891157;DTXSID10188368;UTLRZTUJSMCBHB-UHFFFAOYSA-M;MFCD00013060;AKOS015903289;AKOS040758623;HY-112540A;CS-0046334;FT-0621777;T70807

Chemical Property of Lithium acetoacetate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 237.7 °C at 760 mmHg
• Flash Point: 111.8 °C
• PSA: 57.20000
• Density: 1.182g/cm3
• LogP: -1.28460
• Storage Temp.: −20°C
• Solubility.: H2O: 0.1 g/mL, clear, colorless
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.03987245
• Heavy Atom Count: 8
• Complexity: 99.5

Purity/Quality:

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

Lithium acetoacetate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].CC(=O)CC(=O)[O-]
• Uses: Lithium Acetoacetate produces neuroprotection effects against N-Methyl-D-aspartate (NMDA)-induced damage of retinal ganglion cells in rats. Lithium acetoacetate can be used as an acetoacetate standard for the measurement of acetoacetate in biological samples. It can also be used for the preparation of sodium acetoacetate.

Technology Process of Lithium acetoacetate

There total 1 articles about Lithium acetoacetate 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:

ethyl acetoacetate (141-97-9) → lithium acetoacetate (3483-11-2)

Guidance literature:

With lithium hydroxide; at 40 ℃; for 4h;

DOI:10.1080/09168451.2017.1386085

Reference yield: 75.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 2,4-dimethoxybenzylamine hydrochloride (20781-21-9) + lithium acetoacetate (3483-11-2) → 1-(2,4-dimethoxybenzyl)-N-tert-butyl-2-methyl-4-oxoazetidine-2-carboxamide

Guidance literature:

With D-glucose; at 25 ℃; for 72h;

DOI:10.1055/s-2004-825606

Reference yield: 70.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + benzylamine hydrochloride (3287-99-8,39110-74-2,108321-65-9) + lithium acetoacetate (3483-11-2) → 1-benzyl-2-methyl-4-oxo-azetidine-2-carboxylic acid tert-butylamide

Guidance literature:

With D-glucose; at 25 ℃; for 72h;

DOI:10.1055/s-2004-825606

upstream raw materials:

ethyl acetoacetate

Downstream raw materials:

5-Hexen-2-one

3-allyl-hex-5-en-2-one

D-β-hydroxybutyric acid

2-acetoacetic acid

Refernces