1-Piperidinecarboxaldehyde

HCID 17429
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2591-86-8
Standard SMILES
O=CN1CCCCC1
InChIKey
FEWLNYSYJNLUOO-UHFFFAOYSA-N
Molecular formula
C6.H11.N.O.
Average molar mass
113.16 g/mol
Monoisotopic mass
113.08406397

Overview

1-Piperidinecarboxaldehyde is a member of piperidines.

Names & identifiers

Preferred name
1-Piperidinecarboxaldehyde
IUPAC
piperidine-1-carbaldehyde
English name
N-Formylpiperidine
Molecular formula
C6H11NO
Molecular weight
113.16

Names & synonyms

N-Formylpiperidine2591-86-8piperidine-1-carbaldehyde1-PiperidinecarboxaldehydeFormylpiperidinePiperidinoformamidePIPERIDINE, 1-FORMYL-DTXSID8043941ZIQ29H6CZGNSC-1066NSC-404158DTXCID6023941
Show more names
nfp1-FormyLN-Formylpiperdine1-formyl-piperidin
RefChem:830052219-986-01-FormylpiperidineN-Formylpiperidin1-PiperidinecarbaldehydePiperidine-N-carbaldehydePiperidine-1-carboxaldehydeN-Piperidinecarboxaldehyde

Database identifiers

CAS
2591-86-8
PubChem CID
17429
DTXSID
DTXSID8043941
ChEMBL
CHEMBL1232817
ChEBI
CHEBI:193610
UNII
ZIQ29H6CZG
EC Number
219-986-0
Nikkaji
J77.422G

Properties

Computed structural properties

XLogP
0
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesExcess enthalpy
Density1.019 @25 °C
Boiling Point222.5 °C @760 [mm Hg]
Melting Point-30.8 °C
Physical DescriptionLiquid

Physicochemical properties

Melting point
-31 °C · -31 °C
Boiling point
222 °C · 222 °C(lit.)
Density
1.019 g/mL · 1.019 g/mL at 25 °C(lit.)
vapor pressure
0.1 mm · 0.1 mm Hg ( 25 °C)
refractive index
20 · n20/D 1.484(lit.)
Flash point
197 °F · 197 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 16-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18233

1-Formylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

2.7 [mg/m3]

29 [mg/m3]

180 [mg/m3]

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
TN0380000
ridadr
UN 2810 6.1/PG 3
hs_code
29333999

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing Information1-Piperidinecarboxaldehyde: ACTIVE
Applications · 3 items

DescriptionThis simple piperidine base has recently been discovered in the oxygenated fraction from Piper nigrum. The structure has been elucidated from chemical and spectroscopic data.

UsesSolvent for polar and nonpolar compounds, as well as many high polymers; gas absorption; plastics modifiers.

UsesReactant for: Direct amidation of azoles with formamides via metal-free C-H activation in the presence of tert-butyl perbenzoateVilsmeier-type reactions of pyrazoles with amides in the presence of phosphorous oxychlorideCO-free aminocarbonylation of N-substituted formamides with aryl iodides/bromides catalyzed by palladium acetate and Xantphos for synthesis of arylamidesSynthesis of alternating copolymers for organic photovoltaic applicationsOne-pot double functionalization of π-deficient heterocyclic lithium reagentsSynthesis of thermally stable piezofluorochromic aggregation-induced emission compounds

Preparation methods

PreparationN-Formylpiperidine can be synthesized by reacting piperidine with formic acid.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: 1-Piperidinecarboxaldehyde is a member of piperidines.

Related reactions

193 records
New reaction record

Compound notes

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