3,4-Diaminocyclobut-3-ene-1,2-dione

Name: 3,4-Diaminocyclobut-3-ene-1,2-dione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 5231-89-0
Cat. No. CS-0046703
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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*For research and further manufacturing use only, not for direct human use.

3,4-Diaminocyclobut-3-ene-1,2-dione|CS-0046703

Structure of 5231-89-0

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Description

3,4-Diaminocyclobut-3-ene-1,2-dione features a strained cyclobutenedione core with two amine substituents at adjacent positions, enabling direct integration into conjugated systems. This scaffold delivers enhanced electron-donating capacity and facilitates rapid cyclization under mild conditions, making it valuable for constructing heterocyclic architectures in synthetic organic chemistry.

Application

3,4-Diaminocyclobut-3-ene-1,2-dione serves as a versatile diaminocyclobutenedione scaffold for the synthesis of bioactive heterocycles and peptide mimetics. Its inherent stability and dual amine functionality enable efficient coupling reactions and facilitate incorporation into complex molecular architectures. The molecule functions as a key building block in medicinal chemistry campaigns targeting kinase inhibitors and cyclic peptide analogs, offering excellent functional group tolerance and straightforward purification via crystallization or chromatography.

General Information

CAS No. 5231-89-0
Cat. No. CS-0046703
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄N₂O₂
Molecular Weight 112.09
Synonym(s) Squaramide
SMILES O=C1C(N)=C(N)C1=O

Computational Chemistry Data

TPSA 86.18
LogP -1.553
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Key Words

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3,4-Diaminocyclobut-3-ene-1,2-dione

CAS No. 5231-89-0

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