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tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-nitrobenzoate

tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-nitrobenzoate - CAS 942271-61-6

Catalog:	BB041240
Product Name:	tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-nitrobenzoate
CAS:	942271-61-6
Synonyms:	4-(4-methyl-1-piperazinyl)-2-nitrobenzoic acid tert-butyl ester; tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate
Description:	tert-Butyl 4-(4-Methyl-1-piperazinyl)-2-nitrobenzoate (CAS# 942271-61-6 ) is a useful research chemical.
Molecular Weight:	321.37
Molecular Formula:	C16H23N3O4
Canonical SMILES:	CC(C)(C)OC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C)[N+](=O)[O-]
InChI:	InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)13-6-5-12(11-14(13)19(21)22)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3
InChI Key:	PNTUIHOIJCQTSU-UHFFFAOYSA-N
LogP:	2.82800

Publication Number	Title	Priority Date
CN-112939897-A	Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate	20210304
WO-2021197467-A1	Multi-target anti-tumor compound, preparation method therefor and use thereof	20200402
EP-3233840-A1	Heterocyclic derivatives modulating activity of certain protein kinases	20141216
EP-3233840-B1	Heterocyclic derivatives modulating activity of certain protein kinases	20141216
US-10336707-B2	Heterocyclic derivatives modulating activity of certain protein kinases	20141216

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	436
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.16885622
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	321.16885622
Rotatable Bond Count:	4
Topological Polar Surface Area:	78.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5