2-Butenedioic acid(2Z)-, 1-methyl ester (3052-50-4)

The Monomethyl maleate, with CAS registry number 3052-50-4, has the systematic name of (2Z)-4-methoxy-4-oxobut-2-enoic acid. And its IUPAC name is (Z)-4-methoxy-4-oxobut-2-enoic acid. This chemical should be stored at the temperature of 2-8°C. What's more, its EINECS is 221-271-3.

Physical properties of Monomethyl maleate: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -3.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 28.61 cm³; (15)Molar Volume: 102.7 cm³; (16)Polarizability: 11.34×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 53.65 kJ/mol; (19)Vapour Pressure: 0.00706 mmHg at 25°C.

Uses of Monomethyl maleate : it can be used to produce <(4S,5R)-5-<3-(methoxycarbonyl)propenoyloxymethyl>-2,2-dimethyl-1,3-dioxolane-4-yl>phenylmethyl nitrate. This reaction will need reagents DMAP, DCC and solvent diethyl ether. The reaction time is 4 hour(s). The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
The Monomethyl maleate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)OC
(2)InChI: InChI=1/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
(3)InChIKey: NKHAVTQWNUWKEO-IHWYPQMZBC
(4)Std. InChI: InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
(5)Std. InChIKey: NKHAVTQWNUWKEO-IHWYPQMZSA-N