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3,4-Diethoxy-3-cyclobutene-1,2-dione

CAS 5231-87-8(C2H5O)2C4(=O)2Chemical Synthesis

3,4-Diethoxy-3-cyclobutene-1,2-dione (CAS: 5231-87-8) is an organic compound with a molecular weight of 170.16. This diketone serves as a valuable building block in chemical synthesis, particularly for the preparation of furanones and quinones. Its reactivity also allows for ethoxy substitution with amines and organosilanes, making it a versatile intermediate for advanced organic chemistry applications.

IUPAC
Diethyl squarate,Squaric acid diethyl ester
Synonyms
5231-87-8(C2H5O)2C4(=O)2Diethyl squarateSquaric acid diethyl ester
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3,4-Diethoxy-3-cyclobutene-1,2-dione ((C2H5O)2C4(=O)2) — chemical structure, CAS 5231-87-8; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC7 to C8Carbonyl CompoundsChemical SynthesisKetones
01 /Applications

Synthesis of Furanones and Quinones

3,4-Diethoxy-3-cyclobutene-1,2-dione is a key starting material for the synthesis of various furanone derivatives and substituted quinones, enabling the construction of complex heterocyclic and aromatic systems.

Ethoxy Substitution Reactions

The compound readily undergoes ethoxy substitution reactions with nucleophiles such as amines and unsaturated organosilanes, offering pathways to functionalised cyclobutene derivatives and related structures.

Organic Building Block

As a C7 to C8 building block, this diketone is employed in diverse organic synthesis strategies, contributing to the development of novel chemical entities and functional materials.

02 /Properties
Molecular weight170.16
Linear formula(C2H5O)2C4(=O)2
Assay98%
Boiling point95 °C/0.1 mmHg(lit.)
Density1.15 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.509(lit.)
ApplicationUseful starting material for synthesis of furanones1 and quinones.2 Also undergoes ethoxy substitution with amines3 and unsaturated organosilanes.4
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H315Causes skin irritation
  • H317May cause an allergic skin reaction
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point110 °C / 230 °F
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)36/37/38-42/43
Safety statements (S)7-26-37/39

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

04 /Identifiers & registry
CAS number
5231-87-8
MDL number
MFCD00001333
PubChem substance
24858814
Beilstein registry
640626
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 3,4-Diethoxy-3-cyclobutene-1,2-dione used for?

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3,4-Diethoxy-3-cyclobutene-1,2-dione is primarily used as a versatile starting material in organic synthesis for the preparation of furanones and quinones, and it also participates in ethoxy substitution reactions with amines and organosilanes.

What are the CAS number and formula for 3,4-Diethoxy-3-cyclobutene-1,2-dione?

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The CAS number for 3,4-Diethoxy-3-cyclobutene-1,2-dione is 5231-87-8. Its linear formula is (C2H5O)2C4(=O)2.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3,4-Diethoxy-3-cyclobutene-1,2-dione with a purity of 98% (assay). This is a technical/research grade and TSS does not represent it as USP, BP, or EP.

How should 3,4-Diethoxy-3-cyclobutene-1,2-dione be handled safely?

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Handling requires appropriate personal protective equipment including eyeshields, faceshields, and gloves. Use in a well-ventilated area is recommended due to potential respiratory irritation. Refer to the Safety Data Sheet for full details on hazards (H315, H317, H319, H335) and protective measures.

Is 3,4-Diethoxy-3-cyclobutene-1,2-dione a controlled substance?

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The provided data does not indicate that 3,4-Diethoxy-3-cyclobutene-1,2-dione is a controlled substance.

How is 3,4-Diethoxy-3-cyclobutene-1,2-dione exported by TSS?

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Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3,4-Diethoxy-3-cyclobutene-1,2-dione, adhering to all relevant international shipping regulations.

How can I request a sample or quote for 3,4-Diethoxy-3-cyclobutene-1,2-dione?

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Please contact our sales department via the website or direct inquiry to request a sample or a quotation for 3,4-Diethoxy-3-cyclobutene-1,2-dione.

Need 3,4-Diethoxy-3-cyclobutene-1,2-dione in a specific grade or volume?