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About This Item
Empirical Formula (Hill Notation):
C6H7NO2
CAS Number:
Molecular Weight:
125.13
Beilstein:
115703
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
97%
mp
136-138 °C (lit.)
SMILES string
Cn1cccc1C(O)=O
InChI
1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)
InChI key
ILAOVOOZLVGAJF-UHFFFAOYSA-N
Application
1-Methyl-2-pyrrolecarboxylic acid can be used as a reactant to prepare:
It can also be used for thermochemical and computational studies of 1-methyl-2-pyrrolecarboxylic acid.
- 1-Methyl-2-phenyl-1H-pyrrole by reacting with phenylbromide via palladium-catalyzed decarboxylative cross-coupling reaction.
- 4,5-Diethyl-1-methylpyrano[3,4-b]pyrrol-7(1H)-one (a fused heterocycle pyrone) by ruthenium catalyzed oxidative coupling with 3-hexyne.
It can also be used for thermochemical and computational studies of 1-methyl-2-pyrrolecarboxylic acid.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Ru-Catalysed synthesis of fused heterocycle-pyridinones and-pyrones
Ruiz S, et al.
Organic & Biomolecular Chemistry, 15(42), 8904-8913 (2017)
Palladium-catalyzed decarboxylative cross-coupling reaction between heteroaromatic carboxylic acids and aryl halides
Bilodeau F, et al.
The Journal of Organic Chemistry, 75(5), 1550-1560 (2010)
Ana Filipa L O M Santos et al.
The journal of physical chemistry. A, 113(35), 9741-9750 (2009-08-13)
This paper reports a combined thermochemical experimental and computational study of 2-pyrrolecarboxylic acid and 1-methyl-2-pyrrolecarboxylic acid. Static bomb combustion calorimetry and Knudsen mass-loss effusion technique were used to determine the standard (p degrees = 0.1 MPa) molar enthalpies of combustion
Jih Ru Hwu et al.
Molecules (Basel, Switzerland), 25(17) (2020-08-28)
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