Benzodioxoles

Description:

Organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

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  1. N-((1,3-dioxaindan-5-yl)methyl)-N-methylacetamide
    CAS: 168705-70-2 Formula: C11H13NO3 Molecular Weight: 207.230
    Out of Stock Item #: N1030541
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    IUPAC Name
    N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide
    SMILES
    CC(=O)N(C)CC1=CC2=C(C=C1)OCO2
    InChIKey
    JIWDGIYBLGMPRV-UHFFFAOYSA-N
    InChI
    1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3
  2. 3-[3-[2-(1,3-Benzodioxol-5-yloxy)ethyl-methylamino]propyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
    CAS: 180090-15-7 PubChem CID: 9850335
    Out of Stock Item #: B1287336
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    IUPAC Name
    3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
    SMILES
    CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)CCCN(C)CCOC3=CC4=C(C=C3)OCO4
    InChIKey
    DTCZSWHPFSCCJV-UHFFFAOYSA-N
    InChI
    1S/C30H42N2O5S/c1-29(2,3)22-15-20(16-23(27(22)34)30(4,5)6)28-32(26(33)18-38-28)12-8-11-31(7)13-14-35-21-9-10-24-25(17-21)37-19-36-24/h9-10,15-17,28,34show more
  3. 3-(Benzo[d][1,3]dioxol-5-yl)-5-((1-cyclobutylpiperidin-4-yl)methyl)-1,2,4-oxadiazole
    CAS: 1448422-61-4 PubChem CID: 71664257 Formula: C19H23N3O3 Molecular Weight: 341.4
    Out of Stock Item #: B1228039
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    IUPAC Name
    3-(1,3-benzodioxol-5-yl)-5-[(1-cyclobutylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
    SMILES
    C1CC(C1)N2CCC(CC2)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5
    InChIKey
    ATGQONNRRWKPGJ-UHFFFAOYSA-N
    InChI
    1S/C19H23N3O3/c1-2-15(3-1)22-8-6-13(7-9-22)10-18-20-19(21-25-18)14-4-5-16-17(11-14)24-12-23-16/h4-5,11,13,15H,1-3,6-10,12H2
  4. Apiole (dill)
    CAS: 484-31-1 PubChem CID: 10231 Formula: C12H14O4 Molecular Weight: 222.24
    Out of Stock Item #: A1366649
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    IUPAC Name
    4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole
    SMILES
    COC1=C(C2=C(C=C1CC=C)OCO2)OC
    InChIKey
    LIKYNOPXHGPMIH-UHFFFAOYSA-N
    InChI
    1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
  5. Pipercide
    CAS: 54794-74-0 PubChem CID: 5372162
    Out of Stock Item #: P1002503
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    IUPAC Name
    (2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
    SMILES
    CC(C)CNC(=O)C=CC=CCCCCC=CC1=CC2=C(C=C1)OCO2
    InChIKey
    RPOYGOULCHMVBB-ADDDGJNWSA-N
    InChI
    1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+
  6. Oxmetidine
    CAS: 72830-39-8 EC Number: EINECS 276-926-6 Formula: C19H21N5O3S Molecular Weight: 399.500
    Out of Stock Item #: O1053497
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    IUPAC Name
    5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one
    SMILES
    CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4
    InChIKey
    YTBDPHYVGACIPC-UHFFFAOYSA-N
    InChI
    1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,show more
  7. Fludioxonil
    CAS: 131341-86-1 Formula: C12H6F2N2O2 Molecular Weight: 248.19
    Solid ≥98%
    In Stock Item #: F769319
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    IUPAC Name
    4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    SMILES
    FC1(F)Oc2cccc(c2O1)-c3c[nH]cc3C#N
    InChIKey
    MUJOIMFVNIBMKC-UHFFFAOYSA-N
    InChI
    1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
    Synonyms
    4-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
  8. BENZO[1,3]DIOXOL-5-YL-ACETYL CHLORIDE
    CAS: 6845-81-4 PubChem CID: 2756584 Formula: C9H7ClO3 Molecular Weight: 198.61
    Out of Stock Item #: B769672
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    IUPAC Name
    2-(1,3-benzodioxol-5-yl)acetyl chloride
    SMILES
    C1OC2=C(O1)C=C(C=C2)CC(=O)Cl
    InChIKey
    HGSZGCXMAJSUSC-UHFFFAOYSA-N
    InChI
    1S/C9H7ClO3/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2
  9. 3,4-Methylenedioxybenzhydrazide
    CAS: 22026-39-7 PubChem CID: 89158 Formula: C8H8N2O3 Molecular Weight: 180.16
    Solid ≥98%
    In Stock Item #: M770239
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    Technical Identifiers
    IUPAC Name
    1,3-benzodioxole-5-carbohydrazide
    SMILES
    C1OC2=C(O1)C=C(C=C2)C(=O)NN
    InChIKey
    RAXBGBHBUFGWPG-UHFFFAOYSA-N
    InChI
    1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11)
    Synonyms
    1,3-Benzodioxole-5-carbohydrazide | 1,3-Benzodioxole-5-carboxylic acid, hydrazide | 3,4-Methylenedioxybenzoic acid hy...
  10. 4',5'-Methylenedioxy-2'-nitroacetophenone
    CAS: 56136-84-6 EC Number: 260-010-8 Formula: C9H7NO5 Molecular Weight: 209.16
    Solid ≥97%
    Out of Stock Item #: M770131
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    IUPAC Name
    1-(6-nitro-1,3-benzodioxol-5-yl)ethanone
    SMILES
    CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2
    InChIKey
    BQONDGIXVHVIIR-UHFFFAOYSA-N
    InChI
    1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3
    Synonyms
    1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethan-1-one | 1-(6-Nitro-1,3-benzodioxol-5-yl)ethan-1-one | DTXSID40204666 | Ethan...
  11. 6-Bromobenzo[d][1,3]dioxole-5-carboxylic Acid
    CAS: 60546-62-5 PubChem CID: 278291 Formula: C8H5BrO4 Molecular Weight: 245.03
    Out of Stock Item #: B736758
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    Technical Identifiers
    IUPAC Name
    6-bromo-1,3-benzodioxole-5-carboxylic acid
    SMILES
    C1OC2=C(O1)C=C(C(=C2)C(=O)O)Br
    InChIKey
    NRFYLBBOKXFHMO-UHFFFAOYSA-N
    InChI
    1S/C8H5BrO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H,10,11)
  12. 2,2-Difluorobenzo[d][1,3]dioxol-5-ol
    CAS: 1211539-82-0 PubChem CID: 67356342 Formula: C7H4O3F2 Molecular Weight: 174.1
    Out of Stock Item #: D734667
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    Technical Identifiers
    IUPAC Name
    2,2-difluoro-1,3-benzodioxol-5-ol
    SMILES
    C1=CC2=C(C=C1O)OC(O2)(F)F
    InChIKey
    GEHVTOIGEVNIEQ-UHFFFAOYSA-N
    InChI
    1S/C7H4F2O3/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3,10H
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