1-Boc-piperidine-4-carboxaldehyde - CAS 137076-22-3

Name: 1-Boc-piperidine-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008507
Product Name:	1-Boc-piperidine-4-carboxaldehyde
CAS:	137076-22-3
Synonyms:	tert-butyl 4-formylpiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-formylpiperidine-1-carboxylate
Description:	An intermediate for polycyclic indazole derivatives that are ERK inhibitors.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C=O
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3
InChI Key:	JYUQEWCJWDGCRX-UHFFFAOYSA-N
Boiling Point:	295.4 °C at 760 mmHg
Purity:	97.0 %
Density:	1.114 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD02179019
LogP:	1.77030

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113493440-A	Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof	20200403
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194878-A1	Selective modulators of mutant lrrk2 proteolysis and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1