Polyether_Polyether Polyol Knowledge 3-Benzylidene phthalide

3-Benzylidene phthalide

3-Benzylidene phthalide structural formula

Structural formula

Business number 05V0
Molecular formula C10H15O2
Molecular weight 222.24
label

Phthalide anhydride,

benzylidene phthalide,

benzylidene,

benzyl phthalolactone,

3-Benzylidenephthalide,

Medicine

Numbering system

CAS number:575-61-1

MDL number:MFCD00005929

EINECS number:209-388-8

RTECS number:TI3686000

BRN number:None

PubChem number:24891615

Physical property data

1. Physical property data


1. Character: Prismatic crystal


2. melting point10899-102

Toxicological data

None yet

Ecological data

None yet

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 66.19


2. Molar volume (m3/mol):173.8


3. isotonic specific volume (90.2K):475.7


4. Surface Tension (dyne/cm):56.0


5. Polarizability10-24cm3):26.24

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameters Calculate reference value (XlogP):3.5


2. Hydrogen Bonding Number of donors:0


3. Hydrogen Bonding Number of receptors: 2


4. Rotatable Number of chemical bonds: 1


5. Topological molecules Polar surface area (TPSA):26.3


6. Heavy atoms Quantity: 17


7. Surface charge :0


8. Complexity :326


9. Isotope atomic number:0


10. Determine the number of atomic stereocenters:0


11. Uncertain number of atomic stereocenters:1


12. Determine the number of stereocenters of chemical bonds:0


13, Uncertain number of chemical bond stereocenters:0


14. Number of covalent bond units: 1

Properties and stability

1. Properties: Prismatic crystal.

Storage method

Synthesis method

2. Preparation method:



Obtained from the condensation of phthalic anhydride and phenylacetic acid. Phthalic anhydride, phenylacetic acid and water



Sodium acetate is heated together for a reaction, and the temperature gradually rises to240Here



Reaction at temperature2-3h, cool the reactants to 14095%


In ethanol, reflux1h, cool and crystallize, filter and dry to obtain benzyl


base phthalein.

Purpose

3. Uses: pharmaceutical intermediates.

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/21087

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