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5-Formylpyrrole-2-carboxylic acid methyl ester

Product Name
5-Formylpyrrole-2-carboxylic acid methyl ester
CAS No.
1197-13-3
Chemical Name
5-Formylpyrrole-2-carboxylic acid methyl ester
Synonyms
Methyl 5-formyl-1H-pyrrole-2-carboxylate;Methyl5-formylpyrrole-2-carboxylate;5-Formylpyrrole-2-carboxylic acid methyl ester;Methyl 5-formylpyrrole-2-carboxylate, 97%, OT-8127;5-Formyl-1H-pyrrole-2-carboxylic acid methyl ester;Inchi=1/C7H7no3/C1-11-7(10)6-3-2-5(4-9)8-6/H2-4,8H,1h;1H-Pyrrole-2-carboxylic acid, 5-formyl-, methyl ester
CBNumber
CB91177173
Molecular Formula
C7H7NO3
Formula Weight
153.14
MOL File
1197-13-3.mol
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5-Formylpyrrole-2-carboxylic acid methyl ester Property

Melting point:
96 °C
Boiling point:
313.2±27.0 °C(Predicted)
Density 
1.305±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
pka
13.36±0.50(Predicted)
Appearance
Off-white to light brown Solid
InChI
InChI=1S/C7H7NO3/c1-11-7(10)6-3-2-5(4-9)8-6/h2-4,8H,1H3
InChIKey
PRCYHYGREGWAAN-UHFFFAOYSA-N
SMILES
N1C(C=O)=CC=C1C(OC)=O
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Safety

HS Code 
2933998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC
Product number
M305608
Product name
Methyl5-formylpyrrole-2-carboxylate
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
M305608
Product name
Methyl5-formylpyrrole-2-carboxylate
Packaging
1g
Price
$75
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
F10249
Product name
5-Formylpyrrole-2-carboxylicacidmethylester
Purity
96%
Packaging
1g
Price
$35
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
F10249
Product name
5-Formylpyrrole-2-carboxylicacidmethylester
Purity
96%
Packaging
5g
Price
$120
Updated
2021/12/16
Apolloscientific
Product number
OR900846
Product name
Methyl 5-formylpyrrole-2-carboxylate
Packaging
1g
Price
$122
Updated
2021/12/16
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5-Formylpyrrole-2-carboxylic acid methyl ester Chemical Properties,Usage,Production

Uses

Methyl 5-formylpyrrole-2-carboxylate

Synthesis

1193-62-0

68-12-2

1197-13-3

Anhydrous N,N-dimethylformamide (7.0 mL, 90.4 mmol) was cooled to 5-10°C under nitrogen protection. Triclosan (7.8 mL, 83.7 mmol) was slowly added dropwise to the cooled N,N-dimethylformamide for a controlled period of a few minutes. Subsequently, anhydrous 1,2-dichloroethane (25 mL) was added and methyl 2-pyrrolecarboxylate (9.46 g, 75.6 mmol) was dissolved in another portion of anhydrous 1,2-dichloroethane (25 mL), and this solution was added to the reaction system after cooling it to 0-5°C. The reaction mixture was heated to reflux and maintained for 15 minutes. After completion of the reaction, it was cooled to room temperature and treated with a mixture of ethyl acetate (60 mL) and water (75 mL), then the mixture was poured into saturated sodium bicarbonate solution (350 mL) to separate the organic layer. The aqueous layer was extracted three times with ether, all organic extracts were combined, washed twice sequentially with saturated aqueous sodium carbonate solution, dried over anhydrous sodium sulfate, and the solvent was subsequently evaporated under vacuum. The resulting solid was sublimated at 60 °C under reduced pressure (20~10^-3 Torr) and collected at 3 h intervals to give finally methyl 5-formyl-1H-pyrrole-2-carboxylate (7.79 g, 50.1 mmol, 66% yield). The product was characterized by 1H-NMR (CDCl3): δ 10.57 (broad single peak, 1H), 9.70 (single peak, 1H), 6.95 (multiple peaks, 2H), 3.94 (single peak, 3H).

References

[1] Journal of the Chemical Society - Perkin Transactions 1, 1997, # 20, p. 2997 - 3003
[2] Journal of Organic Chemistry, 2017, vol. 82, # 18, p. 9350 - 9359
[3] Patent: US6696575, 2004, B2. Location in patent: Page column 3;4;17;18;11-12
[4] Chemical Communications, 1999, # 9, p. 843 - 844
[5] European Journal of Organic Chemistry, 1999, # 9, p. 2397 - 2403

5-Formylpyrrole-2-carboxylic acid methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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5-Formylpyrrole-2-carboxylic acid methyl ester Suppliers

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1197-13-3, 5-Formylpyrrole-2-carboxylic acid methyl esterRelated Search:


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