2-Methylacetoacetic acid

Base Information Edit

Chemical Name:2-Methylacetoacetic acid
CAS No.:2382-59-4
Molecular Formula:C₅H₈O₃
Molecular Weight:116.117
Hs Code.:
DSSTox Substance ID:DTXSID40946615
Nikkaji Number:J699.728G
Wikidata:Q10395554
Metabolomics Workbench ID:1671
Mol file:2382-59-4.mol

Synonyms:2-methyl-3-oxo-butyric acid;2-methylacetoacetic acid;alpha-methylacetoacetate

Suppliers and Price of 2-Methylacetoacetic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-METHYLACETOACETIC ACID 95.00%
5MG
$ 969.40

Total 35 raw suppliers

Chemical Property of 2-Methylacetoacetic acid Edit

Chemical Property:

Melting Point:320-321 °C
Boiling Point:227.9 °C at 760 mmHg
PKA:3.60±0.34(Predicted)
Flash Point:105.9 °C
PSA：54.37000
Density:1.125g/cm³
LogP:0.29610
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:116.047344113
Heavy Atom Count:8
Complexity:117

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYLACETOACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)C)C(=O)O

Technology Process of 2-Methylacetoacetic acid

There total 9 articles about 2-Methylacetoacetic acid 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: 77.0%

: 39149-65-0
tert-butyl 2-methyl-3-oxobutanoate

: 2382-59-4,76652-86-3,76652-88-5
2-methyl-3-oxobutanoic acid

Guidance literature:: With trifluoroacetic acid; at 20 ℃; for 24h;
DOI:10.1016/j.tetasy.2010.04.064

Reference yield: 76.0%

: 609-14-3
2-acetylpropanoic acid ethyl ester

: 2382-59-4,76652-86-3,76652-88-5
2-methyl-3-oxobutanoic acid

Guidance literature:: With sodium hydroxide; In water; for 12h; Ambient temperature;
DOI:10.1246/bcsj.61.2473

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 78-93-3
butanone

: 2382-59-4,76652-86-3,76652-88-5
2-methyl-3-oxobutanoic acid

: 10191-25-0
3-oxo-valeric acid

Guidance literature:: With triethylamine; sodium iodide; magnesium chloride; In acetonitrile; at 25 ℃; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00224a045