Methyl 4,4-dimethyl-3-oxopentanoate
Methyl 4,4-dimethyl-3-oxopentanoate (CAS 55107-14-7) is an organic compound with the linear formula (CH3)3CCOCH2CO2CH3 and a molecular weight of 158.19 g/mol. This ester, also known as methyl pivaloylacetate, serves as a valuable building block in chemical synthesis. It is primarily utilised in the preparation of complex organic molecules and as a substrate in catalysed reactions for the synthesis of heterocyclic compounds.
- IUPAC
- Methyl pivaloylacetate
- Synonyms
- Methyl pivaloylacetate
Organic Synthesis Intermediate
Methyl 4,4-dimethyl-3-oxopentanoate is employed as a key intermediate in the synthesis of various organic compounds. Its functional groups allow for diverse chemical transformations, making it useful in the construction of more complex molecular architectures.
Heterocyclic Compound Synthesis
This compound has been utilised as a substrate in catalysed reactions, specifically for the synthesis of dibenzo(d,f)(1,3)dioxepine and 12H-dibenzo(d,g)(1,3)dioxocin derivatives. These reactions are crucial for accessing complex ring systems found in natural products and pharmaceuticals.
Preparation of Ketene Derivatives
It serves as a precursor in the preparation of alpha-oxoketene, specifically carbomethoxypivaloylketene. Ketenes are highly reactive intermediates important in various organic transformations.
| Molecular weight | 158.19 |
|---|---|
| Linear formula | (CH3)3CCOCH2CO2CH3 |
| Assay | 99% |
| Boiling point | 67-70 °C/13 mmHg(lit.) |
| Density | 0.99 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.487(lit.) |
| Vapour pressure | 0.4 mmHg (20 °C) |
| Application | Methyl 4,4-dimethyl-3-oxopentanoate has been used:• as substarte during InCl3-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives1• in the preparation of neat α-oxoketene, carbomethoxypivaloylketene2 |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 77 °C / 170.6 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Methyl 4,4-dimethyl-3-oxopentanoate used for?
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Methyl 4,4-dimethyl-3-oxopentanoate is used as a building block in organic synthesis, for the preparation of ketene derivatives, and as a substrate in catalysed syntheses of dibenzo-fused heterocyclic compounds.
What is the CAS number and linear formula for Methyl 4,4-dimethyl-3-oxopentanoate?
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The CAS number is 55107-14-7 and the linear formula is (CH3)3CCOCH2CO2CH3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions typically supplies Methyl 4,4-dimethyl-3-oxopentanoate with an assay of 99%. This product is supplied for research and development purposes and is not represented as USP, EP, BP, or other pharmacopoeia grades.
How should Methyl 4,4-dimethyl-3-oxopentanoate be handled safely?
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Methyl 4,4-dimethyl-3-oxopentanoate is classified as a warning substance, causing skin irritation (H315), serious eye irritation (H319), and respiratory irritation (H335). Appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, should be used when handling. Ensure adequate ventilation.
Is Methyl 4,4-dimethyl-3-oxopentanoate a controlled substance?
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Based on the provided data, Methyl 4,4-dimethyl-3-oxopentanoate is not indicated as a controlled substance.
How is Methyl 4,4-dimethyl-3-oxopentanoate packed, shipped, and exported?
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Tech Serve Solutions, as a global supplier and exporter of fine chemicals, ensures appropriate packaging and compliant shipping procedures for Methyl 4,4-dimethyl-3-oxopentanoate, adhering to all relevant international regulations for chemical transport.
How can I request a quote or sample for Methyl 4,4-dimethyl-3-oxopentanoate?
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To request a quote or a sample of Methyl 4,4-dimethyl-3-oxopentanoate, please contact our sales team via the website or direct inquiry channels. Our team will assist you with your specific requirements.
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