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

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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