1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine - CAS 261925-94-4

Catalog:	BB019182
Product Name:	1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine
CAS:	261925-94-4
Synonyms:	tert-butyl 4-(3-ethoxycarbonylphenyl)piperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(3-ethoxycarbonylphenyl)piperazine-1-carboxylate
Description:	1-Boc-4-[3-(ethoxycarbonyl)phenyl]piperazine (CAS# 261925-94-4 ) is a useful research chemical.
Molecular Weight:	334.41
Molecular Formula:	C18H26N2O4
Canonical SMILES:	CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C18H26N2O4/c1-5-23-16(21)14-7-6-8-15(13-14)19-9-11-20(12-10-19)17(22)24-18(2,3)4/h6-8,13H,5,9-12H2,1-4H3
InChI Key:	CCLGNFZMWMCRCH-UHFFFAOYSA-N
Boiling Point:	463.7 °C at 760 mmHg
Density:	1.136 g/cm³
LogP:	2.92330

Publication Number	Title	Priority Date
US-2020017525-A1	Thienopyridine Carboxamides as Ubiquitin-Specific Protease Inhibitors	20160212
US-10913753-B2	Thienopyridine carboxamides as ubiquitin-specific protease inhibitors	20160212
CN-104046246-A	Chemical Mechanical Planarization for Tungsten-Containing Substrates	20130312
CN-104046246-B	The chemical-mechanical planarization of tungsten-containing substrate	20130312
EP-2779217-A2	Chemical mechanical planarization for tungsten-containing substrates	20130312

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Piperazines

[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[400756-19-6]
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one
[215190-22-0]
Fmoc-piperazine hydrochloride
[4410-12-2]
N-Benzylhomopiperazine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	439
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.18925731
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	334.18925731
Rotatable Bond Count:	6
Topological Polar Surface Area:	59.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9