79770
Phthalide
purum, ≥97.0% (GC)
Synonym(s):
1-Isobenzofuranone
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About This Item
Empirical Formula (Hill Notation):
C8H6O2
CAS Number:
Molecular Weight:
134.13
EC Number:
201-744-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
114632
MDL number:
grade
purum
assay
≥97.0% (GC)
bp
290 °C (lit.)
mp
71-74 °C
SMILES string
O=C1OCc2ccccc12
InChI
1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChI key
WNZQDUSMALZDQF-UHFFFAOYSA-N
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Storage Class
13 - Non Combustible Solids
wgk
WGK 1
flash_point_f
305.6 °F - closed cup
flash_point_c
152 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Dario C Gerbino et al.
Organic letters, 14(9), 2338-2341 (2012-04-24)
The surprisingly facile conversion (isomerization) of 2-formyl-arylketones into 3-substituted phthalides, as observed for the marine natural product pestalone and its per-O-methylated derivative, was investigated using a series of simple 2-acylbenzaldehydes as substrates. The transformation generally proceeds smoothly in DMSO, either
Xing-Nuo Li et al.
Natural product research, 26(19), 1782-1786 (2011-09-20)
The phytochemical investigation of extracts from the radix of Angelica sinensis yielded a new phthalide dimer, 3,3'Z-6.7',7.6'-diligustilide, along with a known dimer, levistolide A. Their structures were established on the basis of spectral data, particularly using 1D-NMR and several 2D
Li Li et al.
Chirality, 24(12), 987-993 (2012-07-19)
Absolute configurations (ACs) of 3-alkylphthalides including natural products (-)-3-n-butylphthalide ((-)-1) and fuscinarin have been studied using chiroptical properties and quantum chemical calculation. Electronic circular dichroism and optical rotatory dispersion spectra of (S)-1 predicted adopting time-dependent density functional theory and hybrid
Jie Luo et al.
Chemical communications (Cambridge, England), 48(39), 4707-4709 (2012-04-11)
The first Mannich reaction employing phthalides using a quinidine-based multifunctional catalyst has been developed. The reported method led to the synthesis of 3,3-disubstituted phthalide derivatives in excellent yields, with good diastereo- and enantioselectivities. Convenient synthesis of chiral isoquinolinones and isoquinolines
Song-Hwa Chae et al.
Journal of agricultural and food chemistry, 59(15), 8193-8198 (2011-07-07)
The residual contact toxicity of three benzofuranoids (Z)-butylidenephthalide (1), (3S)-butylphthalide (2), and (Z)-ligustilide (3) identified in the rhizome of Cnidium officinale (Apiaceae) to B- and Q-biotype females of Bemisia tabaci was evaluated using a leaf-dip bioassay. Results were compared with
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