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Key Documents

Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

E33505-25G:
E33505-VAR:
E33505-1KG:
E33505-BULK:
E33505-100G:


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