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[ CAS No. 125-20-2 ]

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Chemical Structure| 125-20-2
Chemical Structure| 125-20-2
Structure of 125-20-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 125-20-2 ]

CAS No. :125-20-2 MDL No. :MFCD00005909
Formula : C28H30O4 Boiling Point : 571.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :430.54 g/mol Pubchem ID :31316
Synonyms :

1. Thymolphthalein

Safety of [ 125-20-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 125-20-2 ]

  • Downstream synthetic route of [ 125-20-2 ]

[ 125-20-2 ] Synthesis Path-Downstream   1~9

  • 2
  • [ 125-20-2 ]
  • [ 108-24-7 ]
  • 3,3-bis-(4-acetoxy-5-isopropyl-2-methyl-phenyl)-phthalide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; acetic acid
  • 3
  • [ 125-20-2 ]
  • [ 74-88-4 ]
  • 3,3-bis-(5-isopropyl-4-methoxy-2-methyl-phenyl)-phthalide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; acetone
YieldReaction ConditionsOperation in experiment
d. Farbrk. m. wss. Kalilauge;
polarogr.Red.: Kinetik (Geschw.-Konst.k(f,h)grad; ΔG(excit.) (Tab.1);
  • 7
  • [ 125-20-2 ]
  • [ 21085-72-3 ]
  • thymolphtaleine-α-acetyl-D-glucuronic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
46.7% With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In dichloromethane; water at 10 - 20℃; for 3h; 4 4, Synthesis of thymolphtaleine-α-acetyl-D-glucuronic acid methyl ester.It can be expressed by the following reaction formula: preparation steps are: thymolphtaleine (5) (4.3 g, 10 mmol), TBAHS (3.4 g, 10 mmol), acetobromo-α-D-glucuronic acid methyl ester (4) (4.0 g, 10 mmol) dissolved in 30 ml of dichloromethane and cooled to 10 ° C, 30 ml of 1N potassium carbonate aqueous solution was added and then stirred at room temperature for 3 hours, and the mixture was separated and dried over anhydrous sodium sulfate. The organic phase was concentrated to dryness to give thymolphtaleine-α-acetyl-D-glucuronic acid methyl ester (6) (yield: 3.4 g, yield 46.7%).
  • 8
  • 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride [ No CAS ]
  • [ 125-20-2 ]
  • thymolphthalein-N-acetyl-3,4,6-O-triacetyl-β-D-glucopyranoside [ No CAS ]
YieldReaction ConditionsOperation in experiment
61.2% With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In dichloromethane; water at 10 - 20℃; for 3h; 1 1. Synthesis of thymolphthalein-N-acetyl-3,4,6-O-triacetyl-β-D-glucopyranoside preparation method as follow: thymolphthalein (4.3 g, 10 mmol), TBAHS (3. 4 g, 10 mmol), 2-acetamido-3,4,6 -tri-O-acetyl -2-deoxy- A -D-glucopyranoside (3.65g, 10 mmol) dissolved in dichloromethane and cooled down to 10 degrees. After adding 30 ml of 1N potassium carbonate aqueous solution, the mixture was stirred at room temperature for 3 hours, and the mixture was separated and dried over anhydrous sodium sulfate. The organic phase is concentrated to dry column to obtain thymolphthalein-N-acetyl-3,4,6-O-triacetyl-β-D-glucapyranoside (Yield 4.5 g, yield 61.2%).
  • 9
  • [ 125-20-2 ]
  • [ 21085-72-3 ]
  • thymolphthalein β-D-glucuronide [ No CAS ]
YieldReaction ConditionsOperation in experiment
35% Stage #1: thymolphthalein; 1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester With silver(l) oxide In methanol at 20℃; for 8h; Stage #2: With methanol; sodium hydroxide at 20℃; for 4h; 3-4 Example 3: Add 5.0 g of acetyl bromide-α-D-glucuronate and 4.2 g of thymolphthalein to a round-bottom flask, add 25 mL of methanol and then add 1.46 g of silver oxide, and react at room temperature for 8 h; after the reaction is complete, add while stirring 2.0 g NaOH, react at room temperature for 4 h. After the reaction is completed, add 17 mL of 10% aqueous hydrochloric acid to adjust the pH to 2-3. Rotate to remove the polar solvent and purify by reverse phase column to obtain the product thymolphthalein-β-D-glucose Aldehydic acid, that is, the compound of formula II wherein R1 is a methyl group and R2 is an isopropyl group, is an off-white powder. Yield: 2.3g; yield: 35%; HPLC content: 97%.
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