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Ethyl1-benzylpyrrolidine-3-carboxylate

Ethyl1-benzylpyrrolidine-3-carboxylate structure

CAS No:
5747-92-2
Formula:
C14H19NO2
Chemical Name:
Ethyl1-benzylpyrrolidine-3-carboxylate
Synonyms:
ETHYL 1 -BENZYL-PYRROLIDINE-3-CALATE;ETHYL 1-BENZYL-PYRROLIDINE-3-CARBOXYLATE;1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER;3-Pyrrolidinecarboxylic acid, 1-(phenylMethyl)-, ethyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ethyl1-benzylpyrrolidine-3-carboxylate Basic Attributes

Molecular Weight：

233.31

Exact Mass：

233.141586

HScode：

2933990090

Characteristics

PSA：

29.5

XLogP3：

2.1

Appearance：

Pale yellow Liquid

Density：

1.1±0.1 g/cm3

Boiling Point：

308.8°C at 760 mmHg

Flash Point：

107.4±16.8 °C

Refractive Index：

1.542

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

36/37/38-25

safety instructions：

26-36/37/39-45

Marks：

Xi,T

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 194 companies from 1 notifications to the ECHA C&L Inventory.

Ethyl1-benzylpyrrolidine-3-carboxylate Use and Manufacturing

A solution of 159B (1.5g, 7.9 [MMOL)] in [ETOH] (40 ml) was treated with 4M [HCI-] dioxane (20 ml) and stirred overnight. The reaction mixture was cooled to [0 °C, ] treated with saturated aqueous [NAHC03] until neutralized, and extracted with EtOAc. The organic layer was dried over [NA2SO4] and concentrated. Flash chromatography (35-50percent EtOAc/hexane) provided 159C (1.1 g, 58percent).A solution of 159B (1.5g, 7.9 [MMOL)] in [ETOH] (40 ml) was treated with 4M [HCI-] dioxane (20 ml) and stirred overnight. The reaction mixture was cooled to [0 °C, ] treated with saturated aqueous [NAHC03] until neutralized, and extracted with EtOAc. The organic layer was dried over [NA2SO4] and concentrated. Flash chromatography (35-50percent EtOAc/hexane) provided 159C (1.1 g, 58percent).

Computed Properties

Molecular Weight:233.31
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:233.141578849
Monoisotopic Mass:233.141578849
Topological Polar Surface Area:29.5
Heavy Atom Count:17
Complexity:249
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl1-benzylpyrrolidine-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Ethyl1-benzylpyrrolidine-3-carboxylate

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