ChemicalBook > CAS DataBase List > 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

Product Name: 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
CAS No.: 37964-17-3
Chemical Name: 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
Synonyms: 3-Carbethoxypyrrole;Ethyl 1H-pyrrole-3-carboxylate;1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
CBNumber: CB32453801
Molecular Formula: C7H9NO2
Formula Weight: 139.15
MOL File: 37964-17-3.mol

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1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER Property

Melting point:: 118℃
Boiling point:: 291.8±13.0℃ (760 Torr)
Density: 1.139±0.06 g/cm3 (20℃ 760 Torr)
Flash point:: 130.3±19.8℃
storage temp.: Sealed in dry,Room Temperature
pka: 15.42±0.50(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-4-8-5-6/h3-5,8H,2H2,1H3
InChIKey: ICJYWDHNTMJKFP-UHFFFAOYSA-N
SMILES: N1C=CC(C(OCC)=O)=C1

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: E939403
Product name: Ethyl1H-Pyrrole-3-carboxylate
Packaging: 100mg
Price: $175
Updated: 2021/12/16

AK Scientific

Product number: Z4680
Product name: Ethyl1H-pyrrole-3-carboxylate
Packaging: 100mg
Price: $147
Updated: 2021/12/16

Matrix Scientific

Product number: 119229
Product name: Ethyl 1H-pyrrole-3-carboxylate
Purity: 95+%
Packaging: 250mg
Price: $414
Updated: 2021/12/16

AK Scientific

Product number: Z4680
Product name: Ethyl1H-pyrrole-3-carboxylate
Packaging: 1g
Price: $437
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0384583
Product name: ETHYL-PYRROLE-3-CARBOXYLATE
Purity: 95.00%
Packaging: 5MG
Price: $500.82
Updated: 2021/12/16

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1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Synthesis

931-03-3

64-17-5

37964-17-3

1. 3-Pyrrole carboxylic acid (500 mg, 4.5 mmol), dicyclohexylcarbodiimide (1.11 g, 5.4 mmol), 4-dimethylaminopyridine (DMAP) (54 mg, 0.45 mmol) and ethanol (3.2 mL, 54 mmol) were dissolved in tetrahydrofuran (THF) (15 mL). 2. The reaction mixture was heated at 60 °C for 10 h and then cooled to room temperature. 3. The reaction mixture was filtered to remove the precipitate and the filter cake was washed with ethyl acetate. 4. The filtrates were combined, concentrated under reduced pressure and then purified by silica gel column chromatography to afford ethyl 1H-pyrrole-3-carboxylate (500 mg, 81%) as a colorless oil. 5. A benzene (1 mL) solution of 2-chloronicotinoyl chloride (493 mg, 2.8 mmol) was added to a benzene (3 mL) solution of ethyl 1H-pyrrole-3-carboxylate (390 mg, 2.8 mmol). 6. Stannic chloride (IV) (0.5 mL) was added dropwise to the mixture under nitrogen protection and then stirred overnight at room temperature. 7. After completion of the reaction, the reaction mixture was treated with 2N HCl and extracted with ethyl acetate. 8. The organic phases were combined, dried and concentrated under reduced pressure to give ethyl 5-(2-chloropyridine-3-carbonyl)-1H-pyrrole-3-carboxylate (390 mg, 50%) as a white solid. 9. A solution of ethyl 5-(2-chloropyridine-3-carbonyl)-1H-pyrrole-3-carboxylate (1.2 g, 4.32 mmol) and hydrazine hydrate (6.27 mL) in ethanol (50 mL) was heated at 80 °C for 24 hours. 10. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure, the residue was neutralized with 1N HCl to pH 7, and then extracted with ethyl acetate. 11. The organic phases were combined, dried and concentrated under reduced pressure and purified by silica gel column chromatography to give the target compound as a white solid.

References

[1] European Journal of Medicinal Chemistry, 2015, vol. 101, p. 63 - 70
[2] Patent: WO2004/14368, 2004, A1. Location in patent: Page/Page column 66-67
[3] Patent: US2012/238549, 2012, A1. Location in patent: Page/Page column 156
[4] Organic Letters, 2016, vol. 18, # 21, p. 5732 - 5735

1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER manufacturers

Career Henan Chemical Co

Product: 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER 37964-17-3
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99.0%
Supply Ability: 100kg
Release date: 2020-01-14

37964-17-3, 1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTERRelated Search:

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ETHYL 5-HYDROXY-2-METHYLINDOLE-3-CARBOXYLATE 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE Ethyl2,5-dimethylpyrrole-3-carboxylate 4-ETHOXYCARBONYL-3-METHYL PYRROL-2-CARBOXYLIC ACID 4-BENZYL 2-ETHYL 3-(2-ETHOXY-2-OXOETHYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE 5-FORMYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER ETHYL-1-BENZYL-2,4-DIMETHYLPYRROLE-3-CARBOXYLATE 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER RARECHEM AL BI 0942 ETHYL 2-([(4-CHLOROANILINO)CARBONYL]AMINO)-4-(4-CHLOROPHENYL)-1H-PYRROLE-3-CARBOXYLATE 5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER RARECHEM AL BI 1490 ETHYL 4,5-DIPHENYL-2-METHYL-3-PYRROLECARBOXYLATE

1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

Ethyl 1H-pyrrole-3-carboxylate

3-Carbethoxypyrrole

37964-17-3