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HomeProductsOther ChemicalsAlvimopan Phenylpropanoic Acid Methyl Ester Hydrochloride 170098-28-9

Alvimopan Phenylpropanoic Acid Methyl Ester Hydrochloride 170098-28-9

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Model No. 170098-28-9


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Place of OriginCHINA



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Delivery Time15 Days

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Alvimopan phenylpropanoic acid methyl ester hydrochloride CAS number is 170098-28-9, it is the last step intermediate of Alvimopan. Molecular formula: C24H31NO3, molecular weight: 418, his synthesis steps is relative longer, the specific operation process is as follows:
1. In a 50L reaction flask, put 1.70Kg of lithium aluminum hydride, 30L of methyl tert-butyl ether, stir to a temperature of 20℃, add 3.5 Kg of benzylmalonate, and dilute with the reaction solvent. The volume of the mixture was stirred at 25℃ for 5 hours after the completion of the dropwise addition. After the reaction was completed, water was slowly added dropwise, and the pH was adjusted to about 3-4 with dilute hydrochloric acid, filtered, and the filtrate was concentrated and then recrystallized from methyl tert-butyl ether to get 2024 g of white crystals.
2. Into a 20 L three-necked flask, 2000 g of white crystals obtained in the step 1, vinyl acetate 5165 g, ethyl acetate 5 L, and Lipas 2650 g were stirred at 20-25℃ overnight until TLC showed the end of the reaction. The padded diatomaceous earth was suction filtered, and the filtrate was concentrated under reduced pressure at 40℃ or less to remove solvent and vinyl acetate to obtain 2455 g of a colorless transparent viscous liquid.
3. In the 50L reactor, put 2400g of colorless transparent viscous liquid obtained in step 2, acetone 25.0L, and cool down to -5℃.6864ml of Jones reagent was added dropwise. After 30 minutes, TLC showed the reaction was completed. 1283 ml of isopropanol was added dropwise at 10℃ or lower. After the addition, the mixture was stirred for 15 minutes, filtered, concentrated, acetone was removed, water was added 9.5 L, and solid hydrogen carbonate was stirred. The pH was adjusted to 8-9 by sodium, suction filtration, and the filtrate was washed 3 times with 2 L of ethyl acetate. The aqueous layer was adjusted to pH 3-4 with concentrated hydrochloric acid at 0-10℃, and extracted 3 times with 3 L of ethyl acetate. The ester phase was washed once with 3 L of a saturated aqueous solution of sodium chloride and dried to obtain 2048 g of green oil.
4. Add 2000g of green oil obtained in step 3, 10L of methanol in a 50L reactor, stir and cool to 5 ℃ or less, control temperature below 5℃,1908 sodium carbonate aqueous solution was added dropwise for 3 hours drop, the incubation for 3 hours at below 10 ℃ , TLC showed the end of the reaction, static layering, the water layer with concentrated hydrochloric acid to adjust the pH to 3-4,The organic layer was combined and washed with 5 L of brine, and dried over anhydrous sodium sulfate.
5. Add 1500 g of acetonitrile, 35 L of acetonitrile, 1150 g of glycine methyl ester hydrochloride, 925.2 g of triethylamine in a 50 L reactor, stir to reduce the temperature to below 10 ℃, and add N, N-bicyclic ring to the reaction system. 2060.0 g of hexylcarbodiimide, stirred at room temperature for 3 hours, TLC showed that 1 mol/L hydrochloric acid 10 L was added after the reaction was completed, stirred for 10 minutes, and the layers were separated. The organic layer was washed with 5 L of 1 mol/L hydrochloric acid and 5 L of saturated brine, respectively. The sodium was dried to give a product of 1902.5 g.
6. Add 1900g of the product obtained in step 5, 1954.2g of diisopropylethylamine, 30L of dioxane, stir the temperature to below 5℃, and add 3200g of dioxane to p-nitrobenzenesulfonyl chloride in a 50L reactor. Six-ring solution, after completion of the dropwise addition, stirring for 4 hours, TLC showed the end of the reaction, adding 2 mol / L hydrochloric acid 10 L for 10 minutes, layering, the organic layer was saturated with 10 L
The sodium hydrogencarbonate solution and the saturated aqueous sodium chloride solution were washed with anhydrous sodium sulfate and dried to dryness to give a pale yellow oil (3.2 g), which was dissolved in 6 L of ethyl acetate, and then slowly added to the mixture. The product was 2606.6g.
This product is Alvimopan phenylpropanoic acid methyl ester hydrochloride CAS 170098-28-9.


Cas No.: 170098-28-9

Synonym:(S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoic acid methyl ester hydrochloride;(S)-2-benzyl-3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-diMethylpiperidin-1-yl]propanoic acid Methyl ester hydrochloride;1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-diMethyl-α-(phenylMethyl)-, Methyl ester, hydrochloride (1:1),( 57280481,αS,3R,4R)-;(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochl;(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydro;(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochloride

Molecular Formula:C24H31NO3.HCl


Molecular Weight:418

Assay: ≥98.%

Appearance: White Crystalline solid

Storage: normal

Packing:Export worthy packing

Material Safety Data Sheet:Available on request

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