Isobenzofuranones

Description:

Compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Isocoumarans ⮕ Isobenzofuranones

Popular Products

Mycophenolate Mofetil Hydrochloride
CAS: 116680-01-4 PubChem CID: 6441022 Formula: C₂₃H₃₂ClNO₇ Molecular Weight: 470

≥99%

Out of Stock Item #: M1339747

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IUPAC Name

2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate;hydrochloride

SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O.Cl

InChIKey
OWLCGJBUTJXNOF-HDNKIUSMSA-N

InChI

1S/C23H31NO7.ClH/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3;/h4,26H,5-14H2,1-3H3;1H/b15-4+;
7-(2-Hydroxy-3-tert-butylaminopropoxy)phthalide
CAS: 55104-39-7 Formula: C₁₅H₂₂ClNO₄ Molecular Weight: 315.790

≥98%

Out of Stock Item #: H1023024

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IUPAC Name

7-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one;hydrochloride

SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1C(=O)OC2)O.Cl

InChIKey
KTIQCDLYPPAYBF-UHFFFAOYSA-N

InChI

1S/C15H21NO4.ClH/c1-15(2,3)16-7-11(17)9-19-12-6-4-5-10-8-20-14(18)13(10)12;/h4-6,11,16-17H,7-9H2,1-3H3;1H
Meconin-d3
CAS: 29809-15-2 PubChem CID: 71749883 Formula: C₁₀H₇D₃O₄ Molecular Weight: 197.2

Out of Stock Item #: M936611

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IUPAC Name

6-methoxy-7-(trideuteriomethoxy)-3H-2-benzofuran-1-one

SMILES

COC1=C(C2=C(COC2=O)C=C1)OC

InChIKey
ORFFGRQMMWVHIB-BMSJAHLVSA-N

InChI

1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3/i2D3
Ethyl Mycophenolate
CAS: 32483-51-5 PubChem CID: 10904178 Formula: C₁₉H₂₄O₆ Molecular Weight: 348.39

Out of Stock Item #: E978327

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IUPAC Name

ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

SMILES

CCOC(=O)CCC(=CCC1=C(C(=C2COC(=O)C2=C1O)C)OC)C

InChIKey
CUWYKVMNNGRAOW-IZZDOVSWSA-N

InChI

1S/C19H24O6/c1-5-24-15(20)9-7-11(2)6-8-13-17(21)16-14(10-25-19(16)22)12(3)18(13)23-4/h6,21H,5,7-10H2,1-4H3/b11-6+
5,7-dimethoxy-2-benzofuran-1(3H)-one
CAS: 3465-69-8 PubChem CID: 7314397 Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

≥99%

Out of Stock Item #: D1354353

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IUPAC Name

5,7-dimethoxy-3H-2-benzofuran-1-one

SMILES

COC1=CC2=C(C(=C1)OC)C(=O)OC2

InChIKey
ODHPXVGFARBBSK-UHFFFAOYSA-N

InChI

1S/C10H10O4/c1-12-7-3-6-5-14-10(11)9(6)8(4-7)13-2/h3-4H,5H2,1-2H3
[1，3]dioxolo[4，5-f]isobenzofuran-5(7H)-one
CAS: 4792-36-3 Formula: C₉H₆O₄ Molecular Weight: 178.1415

≥95%

Out of Stock Item #: D769647

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SMILES

C1C2=CC3=C(C=C2C(=O)O1)OCO3

InChIKey
QIYDTIMMZOUCGL-UHFFFAOYSA-N

InChI

1S/C9H6O4/c10-9-6-2-8-7(12-4-13-8)1-5(6)3-11-9/h1-2H,3-4H2
4-Methyl-1-oxo-1，3-dihydroisobenzofuran-5-yl trifluoromethanesulfonate
CAS: 1255206-73-5 PubChem CID: 86647292 Formula: C₁₀H₇F₃O₅S Molecular Weight: 296.22

≥97%

Out of Stock Item #: M769998

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IUPAC Name

(4-methyl-1-oxo-3H-2-benzofuran-5-yl) trifluoromethanesulfonate

SMILES

CC1=C(C=CC2=C1COC2=O)OS(=O)(=O)C(F)(F)F

InChIKey
VEUQZWVGMYVTMY-UHFFFAOYSA-N

InChI

1S/C10H7F3O5S/c1-5-7-4-17-9(14)6(7)2-3-8(5)18-19(15,16)10(11,12)13/h2-3H,4H2,1H3
1(3H)-Isobenzofuranone， 4，7-diMethyl-
CAS: 54598-91-3 Formula: C₁₀H₁₀O₂ Molecular Weight: 162.1852

≥95%

Out of Stock Item #: I769730

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SMILES

CC1=C2COC(=O)C2=C(C=C1)C

InChIKey
JNXGHQDZQVYCKB-UHFFFAOYSA-N

InChI

1S/C10H10O2/c1-6-3-4-7(2)9-8(6)5-12-10(9)11/h3-4H,5H2,1-2H3
7-Aminoisobenzofuran-1(3H)-one
CAS: 3883-64-5 PubChem CID: 10909726 Formula: C₈H₇NO₂ Molecular Weight: 149.15

≥95%

Out of Stock Item #: A725208

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Technical Identifiers

IUPAC Name

7-amino-3H-2-benzofuran-1-one

SMILES

C1C2=C(C(=CC=C2)N)C(=O)O1

InChIKey
ZOKRDQGDSFSYSE-UHFFFAOYSA-N

InChI

1S/C8H7NO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4,9H2
5-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
CAS: 862081-37-6 PubChem CID: 58074623 Formula: C₁₄H₁₇BO₄ Molecular Weight: 260.1

≥97%

Out of Stock Item #: I734295

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IUPAC Name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)OC3

InChIKey
OPVQSJKJDSJOJD-UHFFFAOYSA-N

InChI

1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-17-12(11)16/h5-7H,8H2,1-4H3
4-Hydroxyisobenzofuran-1(3H)-one
CAS: 13161-32-5 PubChem CID: 12662077 Formula: C₈H₆O₃ Molecular Weight: 150.13

≥95%

Out of Stock Item #: H727004

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IUPAC Name

4-hydroxy-3H-2-benzofuran-1-one

SMILES

C1C2=C(C=CC=C2O)C(=O)O1

InChIKey
ZSCIMKFWMUXNBS-UHFFFAOYSA-N

InChI

1S/C8H6O3/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3,9H,4H2
4-Chlorophthalide
CAS: 52010-22-7 PubChem CID: 3040300 Formula: C₈H₅ClO₂ Molecular Weight: 168.58

Solid ≥97%

Out of Stock Item #: C708470

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IUPAC Name

4-chloro-3H-2-benzofuran-1-one

SMILES

C1C2=C(C=CC=C2Cl)C(=O)O1

InChIKey
PLBDNGRGWFOSCH-UHFFFAOYSA-N

InChI

1S/C8H5ClO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2

Synonyms
4-Chloroisobenzofuran-1(3H)-one

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