1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester supplier

Name
METHYL 1-METHYLPYRROLE-2-CARBOXYLATE
EINECS -0
CAS No. 37619-24-2
Article Data23
CAS DataBase
Density 1.07 g/cm³
Solubility Slightly soluble in water.
Melting Point 80 °C (sublm)(Press: 0.2 Torr)
Formula C₇H₉NO₂
Boiling Point 204.7 °C at 760 mmHg
Molecular Weight 139.154
Flash Point 77.6 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester (6CI,7CI);1-Methyl-1H-pyrrole-2-carboxylic acidmethyl ester;1-Methyl-2-pyrrolecarboxylic acid methyl ester;2-(Methoxycarbonyl)-1-methylpyrrole;2-Methoxycarbonyl-N-methylpyrrole;Methyl1-methyl-1H-pyrrole-2-carboxylate;Methyl 1-methylpyrrole-2-carboxylate;MethylN-methylpyrrole-2-carboxylate;methyl 1-methylpyrrole-2-carboxylate;
PSA 31.23000
LogP 0.81170

1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester Specification

The 1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester, with the CAS registry number 37619-24-2, has the systematic name of methyl 1-methyl-1H-pyrrole-2-carboxylate. It is a kind of irritant chemical, and the molecular formula of the chemical is C₇H₉NO₂.

The characteristics of 1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.68; (6)ACD/BCF (pH 7.4): 13.68; (7)ACD/KOC (pH 5.5): 226.43; (8)ACD/KOC (pH 7.4): 226.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 38.07 cm³; (15)Molar Volume: 129.3 cm³; (16)Polarizability: 15.09×10^-24cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 77.6 °C; (20)Enthalpy of Vaporization: 44.1 kJ/mol; (21)Boiling Point: 204.7 °C at 760 mmHg; (22)Vapour Pressure: 0.26 mmHg at 25°C.

Preparation of 1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester: This chemical can be prepared by 1-methyl-pyrrole-2-carboxylic acid and iodomethane. The reaction will need reagent sodium carbonate, and the menstruum sodium carbonate. The reaction time is 18 hours with heating, and the yield is about 90%.

Uses of 1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester: It can react with methylmalonic acid diethyl ester to produce 2-(5-methoxycarbonyl-1-methyl-1H-pyrrol-2-yl)-2-methyl-malonic acid diethyl ester. This reaction will need reagent Mn(OAc)₃.2H₂O and AcONa, and the menstruum acetic acid. The reaction time is 6 hours with temperature of 70°C, and the yield is about 60%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1cccn1C
(2)InChI: InChI=1/C7H9NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5H,1-2H3
(3)InChIKey: APHVGKYWHWFAQV-UHFFFAOYAF

Product Name

METHYL 1-METHYLPYRROLE-2-CARBOXYLATE

1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester Specification

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