2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER
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2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER
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CAS No:
936-12-9
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Formula:
C8H11NO2
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Chemical Name:
2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER
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Synonyms:
ETHYL 2-METHYL-3-PYRROLECARBOXYLATE;Ethyl 2-methylpyrrole-3-carboxylate;ethyl 2-methyl-1H-pyrrole-3-carboxylate;2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER;1H-Pyrrole-3-carboxylicacid, 2-Methyl-, ethyl ester
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CAS No:
2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER Basic Attributes
153.18
153.078979
81361
DTXSID20239476
2933990090
Characteristics
42.1
1.3
1.1±0.1 g/cm3
78-79 °C(Solv: ethanol (64-17-5))
289.7°C at 760 mmHg
129.0±21.8 °C
1.518
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER Use and Manufacturing
2-methyl-1H-pyrrole-3-carboxylic acid Lithium hydroxide (1.563 g, 65.3 mmol) in water (20 mL) was added into [00918] To the solution of ethyl 2-methyl-lH-pyrrole-3-carboxylate (785 mg, 5.12 mmol) in dioxane (8 mL) was added a solution of lithium hydroxide (1.08 g, 25.62 mmol) in H20 (8 mL). After addition, the reaction mixture was stirred under refluxed for 4h. The mixture was partitioned with EtOAc and HCl (1M, a.q.). The organic phase was washed with brine, dried over Na2S04 and concentrated to get the title compound. LC-MS: m/z = 126.2 (M+H)+, RT = 0.32 min.
Computed Properties
Molecular Weight:153.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:42.1
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHYL-1H-PYRROLE-3-CARBOXYLICACIDETHYLESTER
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