Beta-keto acids and derivatives

Description:

Organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

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  1. 3-Oxo-octanoic acid ethyl ester
    CAS: 10488-95-6 PubChem CID: 4593087 Formula: C10H18O3 Molecular Weight: 186.25
    Liquid ≥95%
    In Stock Item #: O709247
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    Technical Identifiers
    IUPAC Name
    ethyl 3-oxooctanoate
    SMILES
    CCCCCC(=O)CC(=O)OCC
    InChIKey
    YGRJFGCEOYRREO-UHFFFAOYSA-N
    InChI
    1S/C10H18O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h3-8H2,1-2H3
  2. 2-Chloroethyl 3-oxobutanoate
    CAS: 54527-68-3 PubChem CID: 108605 Formula: C6H9ClO3 Molecular Weight: 164.59
    Out of Stock Item #: C736081
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    Technical Identifiers
    IUPAC Name
    2-chloroethyl 3-oxobutanoate
    SMILES
    CC(=O)CC(=O)OCCCl
    InChIKey
    JAEUQHNZRROYID-UHFFFAOYSA-N
    InChI
    1S/C6H9ClO3/c1-5(8)4-6(9)10-3-2-7/h2-4H2,1H3
  3. 2-Cyanoethyl 3-Oxobutyrate
    CAS: 65193-87-5 EC Number: 613-755-1 PubChem CID: 12360406 Formula: C7H9NO3 Molecular Weight: 155.15
    Out of Stock Item #: C726727
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    Technical Identifiers
    IUPAC Name
    2-cyanoethyl 3-oxobutanoate
    SMILES
    CC(=O)CC(=O)OCCC#N
    InChIKey
    SWJVFAOGXDGTCX-UHFFFAOYSA-N
    InChI
    1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3
  4. tert-Butyl 6-chloro-3,5-dioxohexanoate
    CAS: 276249-18-4 PubChem CID: 10421558 Formula: C10H15ClO4 Molecular Weight: 234.67
    Out of Stock Item #: T724726
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    Technical Identifiers
    IUPAC Name
    tert-butyl 6-chloro-3,5-dioxohexanoate
    SMILES
    CC(C)(C)OC(=O)CC(=O)CC(=O)CCl
    InChIKey
    YNYSBGCKDNJMLE-UHFFFAOYSA-N
    InChI
    1S/C10H15ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h4-6H2,1-3H3
  5. Ethyl 6-methyl-3-oxoheptanoate
    CAS: 57689-16-4 PubChem CID: 15734035 Formula: C10H18O3 Molecular Weight: 186.25
    Out of Stock Item #: E728553
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    Technical Identifiers
    IUPAC Name
    ethyl 6-methyl-3-oxoheptanoate
    SMILES
    CCOC(=O)CC(=O)CCC(C)C
    InChIKey
    LLAQANOMMFENEZ-UHFFFAOYSA-N
    InChI
    1S/C10H18O3/c1-4-13-10(12)7-9(11)6-5-8(2)3/h8H,4-7H2,1-3H3
  6. Ethyl 5-methoxy-3-oxopentanoate
    CAS: 104629-86-9 EC Number: 878-986-4 Formula: C8H14O4 Molecular Weight: 174.19
    Liquid ≥95%
    Out of Stock Item #: E735448
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    Technical Identifiers
    IUPAC Name
    ethyl 5-methoxy-3-oxopentanoate
    SMILES
    CCOC(=O)CC(=O)CCOC
    InChIKey
    HDTMYNBYBPPREL-UHFFFAOYSA-N
    InChI
    1S/C8H14O4/c1-3-12-8(10)6-7(9)4-5-11-2/h3-6H2,1-2H3
    Synonyms
    Pentanoic acid, 5-methoxy-3-oxo-, ethyl ester | 5-methoxy-3-oxopentanic acid ethyl ester | DB-059169 | CS-0440460
  7. Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate
    CAS: 67706-68-7 PubChem CID: 11128564 Formula: C11H19NO5 Molecular Weight: 245.27
    Out of Stock Item #: E725599
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    Technical Identifiers
    IUPAC Name
    ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
    SMILES
    CCOC(=O)CC(=O)CNC(=O)OC(C)(C)C
    InChIKey
    MFRFJFDLZKHOFX-UHFFFAOYSA-N
    InChI
    1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
  8. Ethyl 3-oxododecanoate
    CAS: 67342-99-8 PubChem CID: 3017756 Formula: C14H26O3 Molecular Weight: 242.35
    Out of Stock Item #: E708405
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    Technical Identifiers
    IUPAC Name
    ethyl 3-oxododecanoate
    SMILES
    CCCCCCCCCC(=O)CC(=O)OCC
    InChIKey
    GUIDAPPCHUNALD-UHFFFAOYSA-N
    InChI
    1S/C14H26O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h3-12H2,1-2H3
  9. Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate
    CAS: 887411-85-0 PubChem CID: 22831882 Formula: C9H14O4
    Out of Stock Item #: E730905
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    Technical Identifiers
    IUPAC Name
    ethyl 3-oxo-3-(oxolan-2-yl)propanoate
    SMILES
    CCOC(=O)CC(=O)C1CCCO1
    InChIKey
    DVSIOGDCWXTPTK-UHFFFAOYSA-N
    InChI
    1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
  10. (E)-Methyl 2-((dimethylamino)methylene)-3-oxobutanoate
    CAS: 203186-56-5 PubChem CID: 15084433 Formula: C8H13NO3 Molecular Weight: 171.19
    Out of Stock Item #: M728222
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    Technical Identifiers
    IUPAC Name
    methyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate
    SMILES
    CC(=O)C(=CN(C)C)C(=O)OC
    InChIKey
    RPFZLULJSPXVDO-FNORWQNLSA-N
    InChI
    1S/C8H13NO3/c1-6(10)7(5-9(2)3)8(11)12-4/h5H,1-4H3/b7-5+
  11. methyl 2-methyl-3-oxopentanoate (2-METHYL-3-OXO-PENTANOIC ACID METHYL ESTER)
    CAS: 17422-12-7 PubChem CID: 545860 Formula: C7H12O3 Molecular Weight: 144.17
    Out of Stock Item #: M698009
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    Technical Identifiers
    IUPAC Name
    methyl 2-methyl-3-oxopentanoate
    SMILES
    CCC(=O)C(C)C(=O)OC
    InChIKey
    AVNZOGNVFGETNQ-UHFFFAOYSA-N
    InChI
    1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h5H,4H2,1-3H3
  12. tert-Butyl (R)-6-Cyano-5-hydroxy-3-oxohexanoate
    CAS: 125988-01-4 PubChem CID: 9794547 Formula: C11H17NO4 Molecular Weight: 227.26
    Out of Stock Item #: T690973
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    Technical Identifiers
    IUPAC Name
    tert-butyl (5R)-6-cyano-5-hydroxy-3-oxohexanoate
    SMILES
    CC(C)(C)OC(=O)CC(=O)CC(CC#N)O
    InChIKey
    CCQZKUWBWPJBPY-MRVPVSSYSA-N
    InChI
    1S/C11H17NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8,13H,4,6-7H2,1-3H3/t8-/m1/s1
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