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
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
Biosynth Carbosynth
Product number
FB154707
Product name
Benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Packaging
10g
Price
$686
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0124895
Product name
METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE
Purity
95.00%
Packaging
5G
Price
$1027.8
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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METHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Suppliers

Accela ChemBio Inc.
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3B Scientific Corporation
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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:


  • 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
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