(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester

 化学構造式
1428243-26-8
CAS番号.
1428243-26-8
化学名:
别名:
英語名:
(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester
英語别名:
(3R,4S)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate;Upadacitinib intermediate;1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-;Benzyl (3R,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate;Upatinib intermediate;intermediate of abt594;Upadacitinib Impurity 14;Upadacitinib intermediate5;Upadacitinib Intermediate1;1428243-26-8
CBNumber:
CB93311984
化学式:
C16H20BrNO3
分子量:
354.24
MOL File:
1428243-26-8.mol

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester 物理性質

沸点 :
453.1±45.0 °C(Predicted)
比重(密度) :
1.361±0.06 g/cm3(Predicted)
酸解離定数(Pka):
-2.91±0.60(Predicted)
InChI:
InChI=1S/C16H20BrNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m1/s1
InChIKey:
QEFUCTKHMXMWRF-KGLIPLIRSA-N
SMILES:
N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(CBr)=O)C1

安全性情報

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester 価格

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester 化学特性,用途語,生産方法

製造方法

Dimethylsulfoxonium 2-((3R,4S)-1-benzyloxycarbonyl-4-ethylpyrrolidin-3-yl)-2-oxo-ethylide (10.0 g, 28.5 mmol, 1.0 equivalents), THF (100 mL), and 33% HBr in AcOH (8.37 g, 34.1 mmol, 1.2 equivalents) were charged sequentially and heated to 40° C. The reaction mixture was agitated for 5 hours, cooled to 20° C, and then distilled under vacuum to approximately 65 mL. EtOAc (20 mL) and heptane (50 mL) were charged, and the reaction mixture was washed with water (5×50 mL). The organic layer was concentrated under vacuum and chased with EtOAc (2×50 mL) concentrating to dryness each time. N,N-dimethylacetamide (20 mL) was then charged to provide 30.8 g of a 24.0 wt/wt % solution of (3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester (yield: 73%). 
説明図

(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester 上流と下流の製品情報

原材料

準備製品


(3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester 生産企業

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1428243-26-8()キーワード:


  • 1428243-26-8
  • (3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl ester
  • intermediate of abt594
  • Upadacitinib intermediate5
  • (3R,4S)-3-(2-Bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
  • (3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic ac...
  • (3R,4S)-3-(2-bromoacetyl)-4-ethyl-1-Pyrrolidinecarbox
  • Upadacitinib Intermediate1
  • (3R,4S)-benzyl 3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
  • Benzyl (3R,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
  • 1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-
  • Upadacitinib intermediate
  • 1428243-26-8
  • Upadacitinib Impurity 14
  • Upatinib intermediate
  • R,4S)-3-(2-Bromoacetyl)-4-Ethyl-1-Pyrrolidinecarboxylic Acid Phenylmethyl Ester
  • (3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethy! ester
  • (3R,4S)-3-(2-Bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylic acid phenylmethyl este
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