1-Boc-piperidine-2-carbaldehyde - CAS 157634-02-1

Name: 1-Boc-piperidine-2-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011334
Product Name:	1-Boc-piperidine-2-carbaldehyde
CAS:	157634-02-1
Synonyms:	2-formyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 2-formylpiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-formylpiperidine-1-carboxylate
Description:	1-Boc-piperidine-2-carbaldehyde (CAS# 157634-02-1) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCCC1C=O
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3
InChI Key:	KZNDGAGWQPGYTB-UHFFFAOYSA-N
Boiling Point:	295.4 °C at 760 mmHg
Density:	1.114 g/cm³
Appearance:	Off-white solid or powder
MDL:	MFCD02179021
LogP:	1.91280

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
CN-112321590-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists	20190802
WO-2021023105-A1	Imidazo[2,1-f][1,2,4]triazin-4-amine derivative used as tlr8 agonist	20190802
WO-2019186358-A1	3-hydroxy-n-(3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide derivatives	20180326
EP-3774808-A1	3-hydroxy-n-(3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide derivatives	20180326

Complexity:	245
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5