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

The IUPAC name of 3,4-Dimethoxy-3-cyclobutene-1,2-dione is 3,4-dimethoxycyclobut-3-ene-1,2-dione. With the CAS registry number 5222-73-1, it is also named as Dimethyl squarate. The product's categories are Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; Ring Systems. Besides, it is white crystalline powder, which should be sealed in a dark, cool and dry place at 0-6 °C. In addition, its molecular formula is C₆H₆O₄ and molecular weight is 142.11.

The other characteristics of this product can be summarized as: (1)EINECS: 220-761-4; (2)ACD/LogP: -1.21; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.21; (5)ACD/LogD (pH 7.4): -1.21; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 5.21; (9)ACD/KOC (pH 7.4): 5.21; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 52.6 Å²; (14)Index of Refraction: 1.478; (15)Molar Refractivity: 30.94 cm³; (16)Molar Volume: 109.2 cm³; (17)Polarizability: 12.26×10^-24cm³; (18)Surface Tension: 38.3 dyne/cm; (19)Density: 1.3 g/cm³; (20)Flash Point: 128 °C; (21)Melting point: 54-57 °C; (22)Enthalpy of Vaporization: 52.52 kJ/mol; (23)Boiling Point: 286.1 °C at 760 mmHg; (24)Vapour Pressure: 0.00269 mmHg at 25 °C.

Uses of 3,4-Dimethoxy-3-cyclobutene-1,2-dione: it can react with morpholin-4-ylamine to get 3,4-Bis(4-morpholinylamino)-3-cyclobuten-1,2-dion.



This reaction needs ethanol at room temperature for 5 hours. The yield is 33 %.

When you are using this chemical, please be cautious about it as the following: it may cause sensitization by inhalation and skin contact. Please do not breathe dust. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: COC1=C(C(=O)C1=O)OC
(2)InChI: InChI=1S/C6H6O4/c1-9-5-3(7)4(8)6(5)10-2/h1-2H3
(3)InChIKey: SZBNZTGCAMLMJY-UHFFFAOYSA-N