Cas no 189454-29-3 (1(3H)-Isobenzofuranone,3,4,6-trimethoxy-)
1(3H)-Isobenzofuranone, 3,4,6-trimethoxy-, is a trimethoxy-substituted isobenzofuranone derivative with potential applications in organic synthesis and pharmaceutical research. Its structural features, including the electron-rich aromatic system and lactone functionality, make it a versatile intermediate for constructing complex heterocyclic compounds. The methoxy groups enhance solubility in organic solvents, facilitating its use in reactions requiring polar conditions. This compound may serve as a precursor in the development of bioactive molecules due to its rigid framework and modifiable substituents. Its stability under standard conditions ensures reliable handling and storage. Researchers value this compound for its synthetic flexibility and potential role in exploring structure-activity relationships in medicinal chemistry.
189454-29-3 structure
Product Name:1(3H)-Isobenzofuranone,3,4,6-trimethoxy-
CAS No:189454-29-3
MF:C11H12O5
MW:224.209983825684
CID:115652
PubChem ID:24871108
Update Time:2025-06-07
1(3H)-Isobenzofuranone,3,4,6-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone,3,4,6-trimethoxy-
- 3,4,6-Trimethoxy-1(3H)-Isobenzofuranone
- 3,4,6-trimethoxy-1,3-dihydro-1-isobenzofuranone
- 3,4,6-trimethoxy-3H-2-benzofuran-1-one
- 3,4,6-trimethoxy-3H-isobenzofuran-1-one
- 3,4,6-trimethoxyphthalide
- 3,5,7-Trimethoxyphthalid
- JNVLFUCEKYADLU-UHFFFAOYSA
- 3,4,6-TriMethoxy-1(3H)-isobenzofuranone 97%
- CHEMBL1442880
- Maybridge3_003361
- 3,4,6-Trimethoxyisobenzofuran-1(3H)-one
- IDI1_014748
- MLS000859015
- DTXSID80384739
- CS-0260072
- 3,4,6-Trimethoxy-1(3H)-isobenzofuranone, 97%
- J-012226
- JNVLFUCEKYADLU-UHFFFAOYSA-
- SMR000459194
- InChI=1/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3
- Z2050098551
- 189454-29-3
- HMS1440I17
- HMS2784P06
- CCG-48370
- 3,4,6-Trimethoxy-2-benzofuran-1(3H)-one
- EN300-7447160
- SR-01000637918-1
- 1(3H)-Isobenzofuranone, 3,4,6-trimethoxy-
- 3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one
-
- MDL： MFCD01312574
- Inchi： 1S/C11H12O5/c1-13-6-4-7-9(8(5-6)14-2)11(15-3)16-10(7)12/h4-5,11H,1-3H3
- InChI Key： JNVLFUCEKYADLU-UHFFFAOYSA-N
- SMILES： O1C(C2C=C(C=C(C=2C1OC)OC)OC)=O
Computed Properties
- Exact Mass: 224.06800
- Monoisotopic Mass: 224.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 267
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 54?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.28
- Melting Point: 149-152?°C (lit.)
- Boiling Point: 394.2°C at 760 mmHg
- Flash Point: 178.4°C
- Refractive Index: 1.54
- PSA: 53.99000
- LogP: 1.51920
- Solubility: Not determined
1(3H)-Isobenzofuranone,3,4,6-trimethoxy- Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
1(3H)-Isobenzofuranone,3,4,6-trimethoxy- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 475297-5G |
1(3H)-Isobenzofuranone,3,4,6-trimethoxy- |
189454-29-3 | 97% | 5G |
787.98 | 2021-05-17 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-226258-5g |
3,4,6-Trimethoxy-1(3H)-isobenzofuranone, |
189454-29-3 | 5g |
￥654.00 | 2023-09-05 | ||
| Enamine | EN300-7447160-0.05g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 0.05g |
$19.0 | 2025-02-20 | |
| Enamine | EN300-7447160-0.1g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 0.1g |
$19.0 | 2025-02-20 | |
| Enamine | EN300-7447160-0.25g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 0.25g |
$19.0 | 2025-02-20 | |
| Enamine | EN300-7447160-0.5g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 0.5g |
$27.0 | 2025-02-20 | |
| Enamine | EN300-7447160-1.0g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 1.0g |
$35.0 | 2025-02-20 | |
| Enamine | EN300-7447160-2.5g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 2.5g |
$69.0 | 2025-02-20 | |
| Enamine | EN300-7447160-5.0g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 5.0g |
$87.0 | 2025-02-20 | |
| Enamine | EN300-7447160-10.0g |
3,4,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one |
189454-29-3 | 95.0% | 10.0g |
$110.0 | 2025-02-20 |
1(3H)-Isobenzofuranone,3,4,6-trimethoxy- Related Literature
-
1. NotesWilliam O. Kermack,Alice P. Weatherhead,E. O'Farrell Walsh,F. E. King,T. J. King J. Chem. Soc. 1942 726
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