Cas no 958991-06-5 (Methyl 6-oxopiperidine-3-carboxylate)

Methyl 6-oxopiperidine-3-carboxylate structure
958991-06-5 structure
Product Name:Methyl 6-oxopiperidine-3-carboxylate
CAS No:958991-06-5
MF:C7H11NO3
MW:157.167142152786
MDL:MFCD17016096
CID:820211
PubChem ID:568114
Update Time:2024-10-25

Methyl 6-oxopiperidine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-oxopiperidine-3-carboxylate
    • Ethyl 6-oxopiperidine-3-carboxylate
    • Piperidin-2-one-5-carboxylic acid, methyl ester
    • YORUFIOEZHJAEZ-UHFFFAOYSA-N
    • RW3210
    • PB22855
    • Methyl 6-oxo-3-piperidinecarboxylate #
    • ST1040263
    • W9779
    • 6-Oxo-piperidine-3-carboxylic acid methyl ester
    • Z795248068
    • 6-Oxopiperidine-3-carboxylic acid methyl ester
    • CS-0044684
    • Methyl (S)-6-Oxopiperidine-3-carboxylate
    • SCHEMBL8262495
    • AS-33734
    • MFCD17016096
    • J-522564
    • SB16229
    • DTXSID60340853
    • SY097006
    • AKOS015909561
    • Methyl6-oxopiperidine-3-carboxylate
    • SY343979
    • MFCD28502003
    • SB16228
    • MFCD28502002
    • SY343978
    • EN300-314255
    • Methyl (R)-6-Oxopiperidine-3-carboxylate
    • 958991-06-5
    • DB-027122
    • MDL: MFCD17016096
    • Inchi: 1S/C7H11NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
    • InChI Key: YORUFIOEZHJAEZ-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C(OC)=O)CN1

Computed Properties

  • Exact Mass: 157.07389321g/mol
  • Monoisotopic Mass: 157.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.4
  • XLogP3: -0.5

Methyl 6-oxopiperidine-3-carboxylate Pricemore >>

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Methyl 6-oxopiperidine-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen ,  Hydrochloric acid ,  Oxygen Catalysts: Palladium Solvents: Tetrahydrofuran ,  Water ;  24 h, 50 bar, 40 °C
1.2 Reagents: Sodium carbonate
Reference
Interrupted pyridine hydrogenation: Asymmetric synthesis of δ-lactams
Wagener, Tobias; Lueckemeier, Lukas; Daniliuc, Constantin G. ; Glorius, Frank, Angewandte Chemie, 2021, 60(12), 6425-6429

Production Method 2

Reaction Conditions
1.1 Catalysts: Sulfuric acid ;  10 h, reflux
Reference
Preparation of heterocyclic compounds as antagonists of prostaglandin E2 (PGE2) receptor
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
Reference
Quinazoline derivatives as inhibitors of menin and MLL interaction and their preparation
, World Intellectual Property Organization, , ,

Methyl 6-oxopiperidine-3-carboxylate Raw materials

Methyl 6-oxopiperidine-3-carboxylate Preparation Products

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