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Home > Encyclopedia > METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE structure

METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE 

structure
  • CAS No:

    20303-31-5

  • Formula:

    C18H21NO4

  • Chemical Name:

    METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE

  • Synonyms:

    methyl5-(benzyloxycarbonyl)dimethyl-3-pyrrolepropionate;METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE;Methyl5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate97%;Benzyl4-(3-Methoxy-3-oxopropyl)-3,5-diMethyl-1H-pyrrole-2-carboxylate;4-(2-METHOXYCARBONYL-ETHYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLICACIDBENZYLESTER

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Basic Attributes

315.36

315.147064

DTXSID00349683

2933990090

Characteristics

68.4

3.2

1.2±0.1 g/cm3

98-99ºC(lit.)

468.8°C at 760 mmHg

237.3±28.7 °C

1.564

5.82E-09mmHg at 25°C

Safety Information

3

R36/37/38

S26;S37/S39

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

METHYL5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEPROPIONATE Use and Manufacturing

d) Preparation of the Compound of Formula (3): A 2.5 l Keller round-bottomed flask equipped with a reflux condenser, a thermometer, a dropping funnel and an argon conduit is loaded with a solution of sodium (2.8 g) in methanol (710 ml). At ambient temperature, a solution of compound (4) (111.00 g, 0.28 mol) in THF (430 ml) is added dropwise in 10 min. The mixture is stirred for a further 1 h. The conversion is followed by HPLC. After the addition of acetic acid (7 ml), the volatile products are removed under reduced pressure. The crude viscous product is dissolved in ethanol (490 ml) and water (280 ml) is added. The resulting mixture is stirred for 1 h at 0° C. and the precipitated product is isolated by filtration. The product is washed with ethanol/water (250/250 ml) and dried under reduced pressure, to give the compound (3) (53.31 g, 60percent) in the form of a white solid.

Computed Properties

Molecular Weight:315.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:315.14705815
Monoisotopic Mass:315.14705815
Topological Polar Surface Area:68.4
Heavy Atom Count:23
Complexity:406
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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