1-Boc-3-oxopiperazine - CAS 76003-29-7

Name: 1-Boc-3-oxopiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035462
Product Name:	1-Boc-3-oxopiperazine
CAS:	76003-29-7
Synonyms:	tert-butyl 3-oxopiperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-oxopiperazine-1-carboxylate
Description:	1-Boc-3-oxopiperazine (CAS# 76003-29-7) is used in the synthesis of renin inhibitors. Also used in the synthesis of isoindoline inhibitors of dipeptidyl peptidases.
Molecular Weight:	200.23
Molecular Formula:	C9H16N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNC(=O)C1
InChI:	InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChI Key:	FCMLWBBLOASUSO-UHFFFAOYSA-N
Boiling Point:	359.1 °C at 760 mmHg
Purity:	97.0 %
Density:	1.129 g/cm³
MDL:	MFCD02181069
LogP:	0.62000

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Related Functional Groups

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[55513-17-2]C11H14Cl2N2
1-(3,4-Dichlorobenzyl)piperazine
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1423024-26-3]C6H17Cl3N6
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
[2171065-77-1]C24H26ClFN4O4S2
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[1303889-86-2]C13H25N3O3
tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
WO-2021175200-A1	Ferroptosis inhibitorsâ€"diarylamine para-acetamides	20200302
WO-2021174174-A1	Thiophenyl derivatives useful for modulating nucleic acid splicing	20200228
WO-2021170797-A1	PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS	20200226

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.11609238
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.11609238
Rotatable Bond Count:	2
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2