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Key Documents

E33505

Sigma-Aldrich

Ethyl isonipecotate

98%

Synonym(s):

Ethyl 4-piperidinecarboxylate, Piperidin-4-carboxylic acid ethyl ester

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About This Item

Empirical Formula (Hill Notation):
C8H15NO2
CAS Number:
Molecular Weight:
157.21
Beilstein:
118419
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.459 (lit.)

bp

204 °C (lit.)

density

1.02 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C1CCNCC1

InChI

1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3

InChI key

RUJPPJYDHHAEEK-UHFFFAOYSA-N

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Application

Reactant for synthesis of:
  • SMN protein modulators
  • β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjugate addition
  • Nitroethylenediamines by nucleophilic ring opening of nitroimidazolidinone
  • RhoA inhibitors for cardiovascular disease therapy
  • Saccharin derived Mannich bases as antimicrobials and antioxidants

Reactant for one-pot reductive amination and Suzuki-Miyaura cross coupling of formyl aryl and heteroaryl MIDA boronates

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

176.0 °F - closed cup

Flash Point(C)

80 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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