Ethyl 1-benzyl-pyrrolidine-3-carboxylate - CAS 5747-92-2

Catalog:	BB029714
Product Name:	Ethyl 1-benzyl-pyrrolidine-3-carboxylate
CAS:	5747-92-2
Synonyms:	ethyl 1-benzylpyrrolidine-3-carboxylate

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Computed Properties

IUPAC Name:	ethyl 1-benzylpyrrolidine-3-carboxylate
Description:	Ethyl 1-benzyl-pyrrolidine-3-carboxylate (CAS# 5747-92-2) is a useful research chemical.
Molecular Weight:	233.31
Molecular Formula:	C14H19NO2
Canonical SMILES:	CCOC(=O)C1CCN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChI Key:	CYPXEPWPTXKUPL-UHFFFAOYSA-N
Boiling Point:	308.887 °C at 760 mmHg
Purity:	> 95 %
Density:	1.099 g/cm³
MDL:	MFCD04039852
LogP:	2.00950

Publication Number	Title	Priority Date
WO-2021121327-A1	Substituted straight chain spiro derivatives	20191219
CN-109232350-A	A method of preparing N-Boc-3- pyrrolidine formaldehyde	20181025
TW-201946629-A	MAT2A heterobicyclic inhibitor and method for treating cancer	20180330
WO-2019191470-A1	Heterobicyclic inhibitors of mat2a and methods of use for treating cancer	20180330
CN-111936499-A	Heterobicyclic inhibitors of MAT2A and methods for treating cancer	20180330

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.141578849
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.141578849
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1