153141
1-Methyl-2-pyrrolecarboxylic acid
97%
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About This Item
Empirical Formula (Hill Notation):
C6H7NO2
CAS Number:
Molecular Weight:
125.13
EC Number:
230-217-8
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
115703
MDL number:
Assay:
97%
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 153141-5G | 04061833320242 |
| 153141-25G | 04061833544617 |