ITACONIC ACID MONOMETHYL ESTER

The 4-Methyl hydrogen 2-methylenesuccinate, with the CAS registry number 7341-24-4 and EINECS registry number 230-853-6, has the IUPAC name of 4-methoxy-2-methylidene-4-oxobutanoic acid. It belongs to the product category of monomer. And the molecular formula of the chemical is C₆H₈O₄.

The characteristics of 4-Methyl hydrogen 2-methylenesuccinate are as followings: (1)XLogP3-AA: 0.2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 4; (5)Exact Mass: 144.042259; (6)MonoIsotopic Mass: 144.042259; (7)Topological Polar Surface Area: 63.6; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 171; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0 ; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 3; (18)Feature 3D Anion Count: 1; (19)Feature 3D Hydrophobe Count: 1; (20)Effective Rotor Count: 4; (21)Conformer Sampling RMSD: 0.6; (22)CID Conformer Count: 41. 

Preparation of 4-Methyl hydrogen 2-methylenesuccinate: This chemical can be prepared by methanol and methylenesuccinic acid. The reaction will need reagent Amberlyst-15. The reaction time is 12 hours with temperature of 20°C, and the yield is about 94%. 

Uses of 4-Methyl hydrogen 2-methylenesuccinate: It can react with acetoxyethene to produce 1-vinyl 4-methyl itaconate. This reaction will need reagent LiCl-PdCl₂. The reaction time is 31 hours with heating, and the yield is about 68%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)CC(=C)C(=O)O
(2)InChI: COC(=O)CC(=C)C(=O)O
(3)InChIKey: OIYTYGOUZOARSH-UHFFFAOYSA-N