4-MALEIMIDOBUTYRIC ACID

The CAS register number of 1H-Pyrrole-1-butanoicacid, 2,5-dihydro-2,5-dioxo- is 57078-98-5. It also can be called as 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid and the IUPAC name about this chemical is 4-(2,5-dioxopyrrol-1-yl)butanoic acid. The molecular formula about this chemical is C₈H₉NO₄ and the molecular weight is 183.16. It belongs to the following product categories which include Nitric Oxide Reagents; Cross Linking Reagents; Maleimide Derivatives and so on.

Physical properties about 1H-Pyrrole-1-butanoicacid, 2,5-dihydro-2,5-dioxo- are: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.28; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 63.68Ų; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 42.03 cm³; (12)Molar Volume: 131.2 cm³; (13)Polarizability: 16.66x10^-24cm³; (14)Surface Tension: 61.2 dyne/cm; (15)Enthalpy of Vaporization: 71.43 kJ/mol; (16)Boiling Point: 400.1 °C at 760 mmHg; (17)Vapour Pressure: 1.61E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by maleic acid anhydride and 4-amino-butyric acid. This reaction is a kind of Esterification//Solid phase reaction//Condensation//Solid phase reaction//Cleavage. This reaction will need reagent Merrifield resin bound NH₂CH₂COOEt, silica gel, TaCl₅-SiO₂, TFA and solvent CH₂Cl₂. The reaction time is 5 min with microwave irradiation. The reaction step is 3. The yield is about 65%.

Uses of 1H-Pyrrole-1-butanoicacid, 2,5-dihydro-2,5-dioxo-: it can be used to produce 4-acetoxy-2-(butyryl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione with 1t-acetoxy-buta-1,3-diene at heating. This reaction will need solvent acetonitrile with reaction time of 6 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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=C1\C=C/C(=O)N1CCCC(=O)O
(2)InChI: InChI=1/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)
(3)InChIKey: NCPQROHLJFARLL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)
(5)Std. InChIKey: NCPQROHLJFARLL-UHFFFAOYSA-N