Isobutyryl Chloride, also known as 2-Methylpropanoyl Chloride or Isobutanoyl Chloride, is a branched aliphatic acyl chloride used to introduce an isobutyryl group into organic synthesis. Its structure combines a reactive acid chloride group with a branched four-carbon chain, making it suitable for synthesis routes requiring a defined 2-methylpropanoyl unit.
The product has CAS No. 79-30-1, molecular formula C₄H₇ClO, and molecular weight 106.55 g/mol. It is a liquid at 20°C and serves as a reactive intermediate for acylation chemistry.
Key Product Characteristics
Branched C4 Structure
The 2-methylpropanoyl group provides a defined branched C4 acyl unit for downstream synthesis.
Acid Chloride Reactivity
The acid chloride group enables direct acylation with suitable nucleophilic compounds, including reaction routes leading to amide and ester structures.
Clear Material Identity
CAS number, molecular formula, molecular weight and structural formula provide the core references for raw-material registration and technical documentation.
Technical Parameters
|
Parameter |
Value |
|
CAS No. |
79-30-1 |
|
Molecular Formula |
C₄H₇ClO |
|
Molecular Weight |
106.55 g/mol |
|
Physical Form at 20°C |
Liquid |
|
Melting Point |
Approx. −90°C |
|
Boiling Point |
91–93°C |
|
Density at 20°C |
Approx. 1.01 g/mL |
|
Refractive Index |
Approx. 1.41 |
|
Linear Formula |
(CH₃)₂CHCOCl |
Selection Considerations
Required Acyl Structure
Select Isobutyryl Chloride when the synthesis requires a branched 2-methylpropanoyl group.
Identity Check
CAS No. 79-30-1, formula C₄H₇ClO, molecular weight 106.55 g/mol, and structural formula provide the primary material identification points.
Physical Form
The liquid state and boiling range are relevant to material calculation, charging procedures and process-temperature planning.
Typical Applications
Organic Synthesis
Used as an acylating reagent for introducing an isobutyryl group into organic molecules.
Amide Preparation
Suitable for reaction with compatible amine compounds to form isobutyramide structures within multi-step synthesis.
Ester Preparation
Used with suitable alcohol compounds to introduce an isobutyrate structure into downstream compounds.
Intermediate Synthesis
Applied where a branched aliphatic acyl group must be incorporated at a defined stage of an organic synthesis route.
Process Compatibility
Controlled Charging
The liquid form supports measured addition into compatible reaction systems requiring controlled acyl chloride charging.
Stoichiometric Planning
A molecular weight of 106.55 g/mol provides the calculation basis for molar quantities, reaction ratios and batch formulation.
Temperature Planning
The 91–93°C boiling range provides a reference for reaction setup, temperature control and process planning.
Quality and Documentation
Identity Verification
CAS No. 79-30-1, molecular formula C₄H₇ClO, molecular weight 106.55 g/mol and structural formula establish the core material identity.
Product Specification
The agreed specification should define the required purity and applicable quality parameters for the intended process.
Batch COA
A batch-specific Certificate of Analysis records analytical results for comparison with the applicable product specification.
Packaging and Delivery Planning
Packaging Format
Packaging should correspond to shipment quantity, handling requirements and applicable transport conditions.
Batch Identification
Clear batch identification supports receiving inspection, stock control and production traceability.
Technical Documents
Product name, CAS number, specification and batch information should remain consistent across the relevant technical and commercial documents.
fAQ
Q: What is Isobutyryl Chloride used for?
A: Isobutyryl Chloride is used as an acylating reagent for introducing an isobutyryl group into organic synthesis, including amide, ester and intermediate preparation.
Q: What is the CAS number of Isobutyryl Chloride?
A: The CAS number is 79-30-1.
Q: What is the molecular weight of Isobutyryl Chloride?
A: The molecular weight is 106.55 g/mol.
Q: Is Isobutyryl Chloride an aliphatic acyl chloride?
A: Yes. It is a branched aliphatic acyl chloride with the molecular structure (CH₃)₂CHCOCl.
Q: How does Isobutyryl Chloride differ from Butyryl Chloride?
A: Isobutyryl Chloride contains a branched 2-methylpropanoyl structure, while Butyryl Chloride contains a linear butanoyl structure. The required acyl structure determines the appropriate material for the synthesis route.
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