ChemicalBook > CAS DataBase List > METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

Product Name: METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE
CAS No.: 20303-31-5
Chemical Name: METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE
Synonyms: Benzyl 4-(3-methoxy-3-oxopropyl);-3,5-dimethyl-1H-pyrrole-2-carboxylate;Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrol;methyl 5-(benzyloxycarbonyl)dimethyl-3-pyrrolepropionate;METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE;Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate 97%;Benzyl 4-(3-Methoxy-3-oxopropyl)-3,5-diMethyl-1H-pyrrole-2-carboxylate;4-(2-METHOXYCARBONYL-ETHYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID BENZYL ESTER;1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester
CBNumber: CB8167941
Molecular Formula: C18H21NO4
Formula Weight: 315.36
MOL File: 20303-31-5.mol

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METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Property

Melting point:: 98-99 °C (lit.)
Boiling point:: 468.8±45.0 °C(Predicted)
Density: 1.175±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder
pka: 16.12±0.50(Predicted)
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3
InChIKey: KCXNIAMRWFWMOX-UHFFFAOYSA-N
SMILES: N1C(C(OCC2=CC=CC=C2)=O)=C(C)C(CCC(OC)=O)=C1C

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39
WGK Germany: 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

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.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 288950
Product name: Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
Purity: 97%
Packaging: 5g
Price: $356
Updated: 2025/07/31

Biosynth Carbosynth

Product number: FB154707
Product name: Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Packaging: 1g
Price: $129
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB154707
Product name: Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Packaging: 2g
Price: $198.4
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB154707
Product name: Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Packaging: 5G
Price: $381.5
Updated: 2021/12/16

AK Scientific

Product number: W4283
Product name: Benzyl4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Packaging: 5g
Price: $384
Updated: 2021/12/16

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METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Chemical Properties,Usage,Production

Uses

Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate may be used in chemical synthesis studies.

Synthesis

67-56-1

99602-66-1

20303-31-5

d) Preparation of methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate (Compound 3): to a 2.5 liter Keller round bottom flask equipped with a reflux condenser, a thermometer, a dropping funnel, and an argon conduit under argon protection, a methanol solution (710 mL) of sodium (2.8 g) was added. A solution of tetrahydrofuran (THF, 430 mL) of compound 4 (111.00 g, 0.28 mol) was slowly added dropwise over 10 minutes at room temperature. After the dropwise addition, stirring of the reaction mixture was continued for 1 hour. The progress of the reaction was monitored by HPLC and after confirming that the reaction was complete, the reaction was quenched by the addition of acetic acid (7 mL). Subsequently, the volatile components were evaporated under reduced pressure. The resulting crude product was dissolved in ethanol (490 mL) and diluted by adding water (280 mL). The mixture was stirred at 0 °C for 1 h to induce precipitation of the product and the precipitate was subsequently collected by filtration. The precipitate was washed with a mixture of ethanol/water (250 mL/250 mL) and dried under reduced pressure to give the final compound 3 in white solid form (53.31 g, 60% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 2.25 (s, 3H, CH3), 2.31 (s, 3H, CH3), 2.45 (t, 2H, CH2), 2.71 (t, 2H, CH2), 3.67 (s, 3H, CH3), 5.30 (s, 2H, CH2), 7.40 (m, 5H, Ar-H ), 8.60 (broad single peak, 1H, NH).RP-HPLC analytical conditions: HP Hypersil BDS-C18 column (125 × 4 mm, 25°C), mobile phase acetonitrile (ACN)-water gradient elution containing 0.1% trifluoroacetic acid (TFA) (1 to 100% ACN for 10 min, followed by a 2-min hold at 100% ACN). Flow rate 1 mL/min, detection wavelength 220 nm. Sample preparation: 1 mg of sample was dissolved in 1.5 mL of acetonitrile. Retention time (Rt): 8.53 min (purity >98%).

References

[1] Patent: US2008/242857, 2008, A1. Location in patent: Page/Page column 15

METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE manufacturers

Career Henan Chemical Co

Product: METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE 20303-31-5
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 1000kg
Release date: 2020-01-13

20303-31-5, METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATERelated Search:

3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde Ethyl pyrrole-2-carboxylate 3,5-Dimethylpyrrole-2-carboxylic acid 2,4-Dimethyl-3-ethyl-1H-pyrrole Pyrrole-2-carboxaldehyde Methyl 2-pyrrolecarboxylate 2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID 3-METHYL-1H-PYRROLE-2-CARBALDEHYDE Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate 4-Methylpyrrole-2-carboxylic acid 2,4-Dimethylpyrrole Ethyl 5-methyl-1H-pyrrole-2-carboxylate METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Pyrrole-2-carboxylic acid 5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID 3,4-Dimethyl-1H-pyrrole-2-carboxaldehyde (1H-PYRROL-2-YL)-METHANOL 3-(2,4-DIMETHYL-5-FORMYL-1H-PYRROLE-3-YL)PROPANOIC ACID

METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

4-(2-METHOXYCARBONYL-ETHYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID BENZYL ESTER

methyl 5-(benzyloxycarbonyl)dimethyl-3-pyrrolepropionate

Benzyl 4-(3-Methoxy-3-oxopropyl)-3,5-diMethyl-1H-pyrrole-2-carboxylate

Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate 97%

Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrol

-3,5-dimethyl-1H-pyrrole-2-carboxylate

Benzyl 4-(3-methoxy-3-oxopropyl)

1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester

20303-31-5

Heterocyclic Building Blocks

Pyrroles

Building Blocks

Chemical Synthesis

Heterocyclic Building Blocks

Building Blocks

Heterocyclic Building Blocks

Pyrroles