6-Methoxy-4-methyl-1(3H)-isobenzofuranone
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| Category | Others |
| Catalog number | BBF-05645 |
| CAS | 90888-28-1 |
| Molecular Weight | 178.18 |
| Molecular Formula | C10H10O3 |
| Purity | ≥99% |
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Specification
| Synonyms | 1(3H)-Isobenzofuranone, 6-Methoxy-4-Methyl-; Phthalide, 6-methoxy-4-methyl-; 6-methoxy-4-methyl-3H-2-benzofuran-1-one |
| IUPAC Name | 6-methoxy-4-methylisobenzofuran-1(3H)-one |
| Canonical SMILES | CC1=CC(=CC2=C1COC2=O)OC |
| InChI | InChI=1S/C10H10O3/c1-6-3-7(12-2)4-8-9(6)5-13-10(8)11/h3-4H,5H2,1-2H3 |
| InChI Key | OPEXUEDTADQGTB-UHFFFAOYSA-N |
Properties
| Appearance | White Powder |
| Boiling Point | 379.8±42.0°C at 760 mmHg |
| Density | 1.2±0.1 g/cm3 |
Reference Reading
1. A new isobenzofuranone from the mangrove endophytic fungus Penicillium sp. (ZH58)
Jianxiang Yang, Riming Huang, Sheng Xiang Qiu, Zhigang She, Yongcheng Lin Nat Prod Res. 2013 Oct;27(20):1902-5. doi: 10.1080/14786419.2013.784870. Epub 2013 Apr 12.
A new isobenzofuranone, 4-(methoxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone (1), together with seven known compounds, dilation (2), lumichrome (3), curvulari (4), 5,5'-oxy-dimethylene-bis(2-furaldehyde) (5), chromone (6), harman(1-methyl-β-carboline) (7), N9-methyl-1methyl-β-carboline (8), was isolated from the mangrove endophytic fungus, Penicillium sp. ZH58 obtained from the South China Sea coast. Their structures were determined by analysis of spectroscopic data. Compound 1 exhibited cytotoxicity against KB and KBV200 cells with IC50 values of 6 and 10 μg/mL, respectively.
2. [Exploration of emulsifying material basis of Angelicae Sinensis Radix volatile oil based on partial least squares and hydrophile-lipophile balance value]
Xiao-Li Liu, Fang Wang, Xiao-Ying Huang, Xing Lei, Liang-Feng Wang, Hui-Ting Li, Qing-Yao Chen, Ming Yang, Xiao-Fei Zhang Zhongguo Zhong Yao Za Zhi. 2021 Jul;46(14):3583-3591. doi: 10.19540/j.cnki.cjcmm.20210412.301.
This study explores the emulsifying material basis of Angelicae Sinensis Radix volatile oil (ASRVO) based on partial least squares (PLS) method and hydrophile-lipophile balance (HLB) value.The turbidity of ASRVO emulsion samples from Gansu,Yunnan,and Qinghai was determined and the chemical components in the emulsion were analyzed by GC-MS.The PLS model was established with the chemical components as the independent variable and the turbidity as the dependent variable and evaluated with indexes R~2X and R~2Y.The chemical components which were in positive correlation with the turbidity were selected and the HLB values were calculated to determine the emulsification material basis of ASRVO.The PLS models for the 81 emulsion samples had high R~2X and R~2Y values,which showed good fitting ability.Seven chemical components,2-methoxy-4-vinylphenol,trans-ligustilide,3-butylidene-1(3H)-isobenzofuranone,dodecane,1-methyl-4-(1-methylethylidene)-cyclohexene,trans-beta-ocimene,and decane,had positive correlation with turbidity.Particularly,the HLB value of 2-methoxy-4-vinylphenol was 4.4,which was the HLB range of surfactants to be emulsifiers and 2-methoxy-4-vinylphenol was positively correlated with turbidity of the ASRVO emulsion samples from the main producing area.Therefore,2-methoxy-4-vinylphenol was the emulsifying material basis of ASRVO.The selected emulsifying substances can lay a foundation for exploring the emulsification mechanism and demulsification solution of ASRVO.
3. New α-pyrone and phthalide from the Xylariaceae fungus
Jian Zou, Jun Li, Zu-Yan Wu, Qin Zhao, Gao-Qian Wang, Huan Zhao, Guo-Dong Chen, Xiang Sun, Liang-Dong Guo, Hao Gao J Asian Nat Prod Res. 2015;17(7):705-10. doi: 10.1080/10286020.2015.1054816. Epub 2015 Jun 30.
A new α-pyrone xylaripyrone A (1) and a new phthalide xylariphthalide A (2) were isolated from the Xylariaceae fungus (no. 63-19-7-3), along with four related known phthalides (3-6): 4-[(acetyloxy)methyl]-7-methoxy-6-methyl-1(3H)-isobenzofuranone (3), convolvulol (4), 7-methoxy-4,6-dimethyl-3H-isobenzofuran-1-one (5), and convolvulanic acid B (6). Their structures were determined on the basis of IR, MS, and NMR spectroscopic analyses.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
