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3,3-Dimethylbutyraldehyde

CAS 2987-16-8(CH3)3CCH2CHOChemical Synthesis

3,3-Dimethylbutyraldehyde (CAS: 2987-16-8), also known as tert-butylacetaldehyde, is an organic compound with the linear formula (CH3)3CCH2CHO and a molar mass of 100.16 g/mol. This aldehyde is a valuable building block in organic synthesis. Its primary application lies in research settings, particularly in studies involving the L-Proline-catalyzed synthesis of chiral dihyropyridazines from aldehydes, contributing to advancements in stereoselective chemistry.

IUPAC
3,3-Dimethylbutanal,tert-Butylacetaldehyde
Synonyms
(CH3)3CCH2CHO3,3-Dimethylbutanaltert-Butylacetaldehyde
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3,3-Dimethylbutyraldehyde ((CH3)3CCH2CHO) — chemical structure, CAS 2987-16-8; Chemistry, fine chemical supplied by Tech Serve Solutions
AldehydesBuilding BlocksC1 to C6Carbonyl CompoundsChemical Synthesis
01 /Applications

Organic Synthesis Intermediate

3,3-Dimethylbutyraldehyde serves as a versatile intermediate in the synthesis of more complex organic molecules. Its aldehyde functionality allows for various reactions, making it useful in the development of novel chemical entities.

Research in Stereoselective Synthesis

This compound has been employed in studies focused on L-Proline-catalyzed reactions. Specifically, it has been used in the synthesis of chiral dihyropyridazines, highlighting its utility in asymmetric catalysis research.

Building Block for Fine Chemicals

As a C6 aldehyde, 3,3-Dimethylbutyraldehyde functions as a fundamental building block in the production of fine chemicals and specialty organic compounds.

02 /Properties
Molecular weight100.16
Linear formula(CH3)3CCH2CHO
Assay≥95.0% (GC)
Boiling point104-106 °C(lit.)
Density0.798 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.397(lit.)n20/D 1.397
ApplicationUsed in a study of an L-Proline-catalyzed synthesis of chiral dihyropyridazines from aldehydes.1
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Danger

Hazard statements

  • H225Highly flammable liquid and vapour
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point13 °C / 55.4 °F
Transport (UN / ADR)UN 1989BE 3 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,Xi
Risk statements (R)11-36/37/38
Safety statements (S)16-23

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

04 /Identifiers & registry
CAS number
2987-16-8
MDL number
MFCD00042807
PubChem substance
24862120
Beilstein registry
1735829
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 3,3-Dimethylbutyraldehyde primarily used for?

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3,3-Dimethylbutyraldehyde is primarily used as a building block in organic synthesis and in research studies, particularly in the area of stereoselective synthesis, such as L-Proline-catalyzed reactions.

What is the CAS number and chemical formula for 3,3-Dimethylbutyraldehyde?

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The CAS number for 3,3-Dimethylbutyraldehyde is 2987-16-8, and its linear formula is (CH3)3CCH2CHO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3,3-Dimethylbutyraldehyde with a minimum purity of 95.0% as determined by GC. This product is supplied for research and laboratory use and is not represented as USP, BP, EP, or pharmacopoeia grade.

How should 3,3-Dimethylbutyraldehyde be handled safely?

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3,3-Dimethylbutyraldehyde is a highly flammable liquid and vapour (Flash Point 13 °C) and is harmful if inhaled, causes skin irritation, and causes serious eye irritation. Appropriate personal protective equipment, including safety goggles, face shields, chemical-resistant gloves, and respiratory protection, should be used. Ensure adequate ventilation and handle away from ignition sources. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

Is 3,3-Dimethylbutyraldehyde a controlled substance?

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Based on the provided data, there is no indication that 3,3-Dimethylbutyraldehyde is a controlled substance.

How is 3,3-Dimethylbutyraldehyde typically packaged and shipped?

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3,3-Dimethylbutyraldehyde is carefully packaged to ensure safe transport and is exported globally by Tech Serve Solutions in compliance with relevant shipping regulations for flammable liquids.

How can I request a quote or sample of 3,3-Dimethylbutyraldehyde?

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To request a quote or sample of 3,3-Dimethylbutyraldehyde, please contact our sales team via the website or direct email, providing your specific requirements and shipping details.

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