Benzylidenephthalide
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Benzylidenephthalide
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CAS No:
575-61-1
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Formula:
C15H10O2
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Chemical Name:
Benzylidenephthalide
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Synonyms:
1(3H)-Isobenzofuranone,3-(phenylmethylene)-;Phthalide,3-benzylidene-;3-(Phenylmethylene)-1(3H)-isobenzofuranone;3-Benzylidenephthalide;3-Benzalphthalide;Benzalphthalide;Benzylidenephthalide;Escalol 547;NSC 2824;3-Benzylidene-2-benzofuran-1-one;104559-05-9
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CAS No:
Description
PALE YELLOW TO YELLOW CRYSTALLINE POWDER
3-(phenylmethylene)-1-isobenzofuranone is an isobenzofuranone.
Characteristics
26.30000
4.27
Pale yellow to yellow crystalline powder
1.3±0.1 g/cm3
108 °C
198-205 °C @ Press: 4 Torr
156.9±25.3 °C
1.687
Benzylidenephthalide Use and Manufacturing
From the condensation of phthalic anhydride and phenylacetic acid. Phthalic anhydride, phenylacetic acid and anhydrous sodium acetate are heated together to react, the temperature is gradually increased to 240℃, and react at this temperature for 2-3h. The reactants are cooled to 140℃, put in 95% ethanol, refluxed for 1h, and cooled to crystallize , Filtered and dried to obtain benzylidenephthalein.
Pharmaceutical intermediates.
Cosmetics -> Uv absorber
Computed Properties
Molecular Weight:222.24
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.068079557
Monoisotopic Mass:222.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:326
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
