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Isopropyl cyanoacetate

CAS 13361-30-3NCCH2COOCH(CH3)2Chemical Synthesis

Isopropyl cyanoacetate (CAS: 13361-30-3) is an organic compound with the linear formula NCCH2COOCH(CH3)2 and a molecular weight of 127.14 g/mol. This ester serves as a valuable building block in organic synthesis. It is primarily utilized in chemical synthesis, particularly in the preparation of heterocyclic compounds like coumarins, and is an important intermediate for various chemical processes. It is supplied by Tech Serve Solutions with an assay of ≥98.0%.

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Isopropyl cyanoacetate (NCCH2COOCH(CH3)2) — chemical structure, CAS 13361-30-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC6 to C7Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Synthesis of 3-Substituted Coumarins

Isopropyl cyanoacetate is employed in the synthesis of 3-substituted coumarins. This reaction typically involves condensation processes, highlighting its utility as a key intermediate in heterocyclic chemistry.

Organic Synthesis Building Block

As a versatile organic building block, Isopropyl cyanoacetate participates in various chemical transformations. Its structure facilitates the introduction of cyanoacetate moieties into more complex molecules.

Preparation of Specialty Chemicals

The compound finds application in the preparation of diverse specialty chemicals. Its reactivity makes it a useful starting material or intermediate in multi-step synthetic routes.

02 /Properties
Molecular weight127.14
Linear formulaNCCH2COOCH(CH3)2
Assay≥98.0%
Boiling point207 °C(lit.)
Density1.013 g/mL at 20 °C(lit.)
Refractive indexn20/D 1.416
ApplicationIsopropyl cyanoacetate was used in the synthesis of 3-substituted coumarins by undergoing Kn
03 /Safety & handling
Protective equipmentEyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point92 °C / 197.6 °F
Transport (UN / ADR)NA 1993 / PGIII
Water hazard class (WGK, DE)2

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
13361-30-3
MDL number
MFCD00019842
Beilstein registry
1756014
05 /Quality & supply

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.

06 /Frequently asked questions

What is Isopropyl cyanoacetate used for?

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Isopropyl cyanoacetate is used as a building block in organic synthesis, notably for the preparation of 3-substituted coumarins and other specialty chemicals.

What is the CAS number and formula for Isopropyl cyanoacetate?

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The CAS number for Isopropyl cyanoacetate is 13361-30-3. Its linear formula is NCCH2COOCH(CH3)2.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Isopropyl cyanoacetate with an assay of ≥98.0%. We do not represent this product as USP, BP, or EP grade unless explicitly stated otherwise in the product data.

How should Isopropyl cyanoacetate be handled safely?

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Handling requires appropriate personal protective equipment, including eyeshields and gloves. A full-face respirator with a multi-purpose combination cartridge or an ABEK type filter is recommended. It is a combustible liquid with a flash point of 92 °C (197.6 °F).

How is Isopropyl cyanoacetate packed and exported?

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Isopropyl cyanoacetate is packed and exported according to relevant transport regulations, including NA 1993 / PGIII. Please contact us for specific shipping details for your region.

How can I request a sample or quote for Isopropyl cyanoacetate?

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To request a sample or a quote, please use the contact form on our website or reach out to our sales department directly with your requirements.

Need Isopropyl cyanoacetate in a specific grade or volume?