Ethyl 2-oxo-3-piperidinecarboxylate

CAS

3731-16-6

Catalog Number

ACM3731166

Category

Other Products

Molecular Weight

171.19

Molecular Formula

C₈H₁₃NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

3-Carbethoxy-2-piperidone, 3-Ethoxycarbonyl-2-piperidone, Maybridge3_004248, C5505_ALDRICH, MLS001043310, ZERO/001848, Ethyl 2-piperidone-3-carboxylate, NSC38545, EINECS 223-086-3, Ethyl 2-oxo-3-piperidinecarboxylate, Ethyl 2-oxopiperidine-3-carboxylate, IDI1_015635, SMR000427074, 2-Oxo-piperidine-3-carboxylic acid ethyl ester, C-1816, 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester, SR-01000635041-1, 3731-16-6

IUPAC Name

ethyl 2-oxopiperidine-3-carboxylate

Canonical SMILES

CCOC(=O)C1CCCNC1=O

InChI Key

DUMNOWYWTAYLJN-UHFFFAOYSA-N

Boiling Point

326ºC at 760 mmHg

Melting Point

80-82ºC(lit.)

Flash Point

150.9ºC

Density

1.118 g/cm³

Appearance

White to off-white crystalline powder

EC Number

223-086-3

Exact Mass

171.09000

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

22-24/25-36-26

WGK Germany

Upstream Synthesis Route 1

17216-62-5

3731-16-6

Reference: [1] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 17, p. 2055 - 2062

Upstream Synthesis Route 2

17216-62-5

3731-16-6

Reference: [1] Journal of the American Chemical Society, 1949, vol. 71, p. 2818

Upstream Synthesis Route 3

105-53-3

3731-16-6

Reference: [1] Journal of the American Chemical Society, 1943, vol. 65, p. 2458
[2] Journal of the American Chemical Society, 1949, vol. 71, p. 2818
[3] Journal of the American Chemical Society, 1949, vol. 71, p. 2818

Upstream Synthesis Route 4

17216-62-5

3731-16-6

Reference: [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 2055 - 2062

Downstream Synthesis Route 1

583-68-6
3731-16-6

94850-63-2

Reference: [1]Suvorov, N.N.; Vinograd, L.Kh.; Turchin, K.F.; Ill'ina, G.N.; Vigdorchik, M.M.; Filipenko, T.Ya.
[Chemistry of Heterocyclic Compounds, 1984, vol. 20, # 8, p. 890 - 897][Khimiya Geterotsiklicheskikh Soedinenii, 1984, # 8, p. 1093 - 1100]

* For details of the synthesis route, please refer to the original source to ensure accuracy.