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2199-43-1

2199-43-1 Structure

2199-43-1 Structure
IdentificationMore
[Name]

Ethyl pyrrole-2-carboxylate
[CAS]

2199-43-1
[Synonyms]

1H-PYRROLE-2-CARBOXYLIC ACID, ETHYL ESTER
ETHYL 1H-PYRROLE-2-CARBOXYLATE
ETHYL PYRROLE-2-CARBOXYLATE
PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
RARECHEM AL BI 0174
SALOR-INT L305596-1EA
Ethyl Pyrrole-2-Carbonate
ethyl pyrrole-2-carboxylatePyrrole-2-carboxylic acid,ethyl ester
Ethyl pyrrole-2-carboxylate, 98+%
[Molecular Formula]

C7H9NO2
[MDL Number]

MFCD00817049
[Molecular Weight]

139.15
[MOL File]

2199-43-1.mol
Questions And AnswerBack Directory
[Synthesis]

The preparation method of ethyl pyrrole-2-carboxylate is as follows: A solution of 2,2,2-trichloro-1-(1H-pyrrole-2-yl)-acetone (25 g, 0.12 mol) in ethanol (200 mL) was treated with potassium carbonate (5 g). The mixture was then heated to reflux for 1 hour. After this, the solid residue was filtered off, and the solution was concentrated under reduced pressure. Ethyl acetate (200 mL) was added, and the solution was washed with water (2×). The organic phase was dried on Na₂SO₄. Ethyl pyrrole-2-carboxylate (18 g) was obtained as a pale yellow solid. HPLC (Method 2): m/z 140.12 [m+H]+, 1H NMR (400.5 MHz, DMSO-d6) δppm 1.29 (t, J=7.0 Hz, 3H), 4.23 (q, J=700 Hz, 2H), 6.25–6.04 (m, 1H), 6.86–6.65 (m, 2H).

Synthetic Route of Ethyl Pyrrole-2-Carboxylate

Figure: Synthetic Route of Ethyl Pyrrole-2-Carboxylate

Chemical PropertiesBack Directory
[Melting point ]

37-39°C
[Boiling point ]

70°C 0,8mm
[density ]

1.139±0.06 g/cm3(Predicted)
[Fp ]

70°C/0.8mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

15.25±0.50(Predicted)
[color ]

White to Yellow to Orange
[BRN ]

2645
[InChI]

InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
[InChIKey]

PAEYAKGINDQUCT-UHFFFAOYSA-N
[SMILES]

N1C=CC=C1C(OCC)=O
[LogP]

1.730 (est)
[CAS DataBase Reference]

2199-43-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Ethyl pyrrole-2-carboxylate is white or light yellow crystalline
[Uses]

Ethyl pyrrole-2-carboxylate is a pyrole derivative used in the preparation of heterocyclic bioactive agents and other pharmaceutical compounds. A catalyst in olefin polymerization.
[Definition]

ChEBI: Ethyl 2-pyrrolecarboxylate is a member of pyrroles.
[Synthesis Reference(s)]

Tetrahedron Letters, 27, p. 6315, 1986 DOI: 10.1016/S0040-4039(00)87796-5
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl pyrrole-2-carboxylate(2199-43-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl pyrrole-2-carboxylate, 98+%(2199-43-1)
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