Ethyl pyrrolidine-3-carboxylate hydrochloride supplier

Name
Ethyl pyrrolidine-3-carboxylate hydrochloride
EINECS
CAS No. 80028-44-0
Article Data2
CAS DataBase
Density
Solubility
Melting Point 17-42°C
Formula C₇H₁₄ClNO₂
Boiling Point 233.1 °C at 760 mmHg
Molecular Weight 179.647
Flash Point 94.7 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Pyrrolidinecarboxylic acid, ethyl ester, hydrochloride (1:1);
PSA 38.33000
LogP 1.28980

Ethyl pyrrolidine-3-carboxylate hydrochloride Specification

The Ethyl pyrrolidine-3-carboxylate hydrochloride, with the CAS registry number 80028-44-0, is also known as 3-Pyrrolidinecarboxylic acid, ethyl ester, hydrochloride (1:1). This chemical's molecular formula is C₇H₁₄ClNO₂ and molecular weight is 179.6446. What's more, its systematic name is Ethyl pyrrolidine-3-carboxylate hydrochloride.

Physical properties about Ethyl pyrrolidine-3-carboxylate hydrochloride are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å²; (11)Flash Point: 94.7 °C; (12)Enthalpy of Vaporization: 47.93 kJ/mol; (13)Boiling Point: 233.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0462 mmHg at 25 °C.

Uses of Ethyl pyrrolidine-3-carboxylate hydrochloride: it is used to produce other chemicals. For example, it is used to produce Ethyl N-(4-pyridyl)pyrrolidine-3-carboxylate. The reaction time is 3 hours with reaction temperature of 150 °C. The yield is about 31 %.

Ethyl pyrrolidine-3-carboxylate hydrochloride can react with 4-Phenoxy-pyridine to get Ethyl N-(4-pyridyl)pyrrolidine-3-carboxylate.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCC)C1CNCC1
(2) InChI: InChI=1/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H
(3) InChIKey: AYYKCALHTPKNOI-UHFFFAOYAC

Product Name

Ethyl pyrrolidine-3-carboxylate hydrochloride

Ethyl pyrrolidine-3-carboxylate hydrochloride Specification

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