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HRID7220

反应详情

EQUATION

反应方程式

HRID 7220 的结构方程式

REACTANTS

反应物

4
结构：Cl
HCID313

Hydrochloric Acid

ClH

结构：CC(C)O
HCID3776

Isopropanol

C3H8O

结构：CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C
HCID11238911

Atorvastatin tert-Butyl Ester

C37H43FN2O5

结构：CO.O.[K+].[OH-]
HCID86591755

未命名化合物

PRODUCTS

生成物

1
结构：CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
HCID60823

Atorvastatin

C33H35FN2O5

AUXILIARIES

试剂、催化剂与溶剂

1
结构：Cc1ccccc1
溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

The crude (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid, t-butyl ester (VI-A) was converted to the acid using an excess of KOH/MeOH/Water, followed by lactonization in toluene with catalytic HCl. Chiral HPLC analysis (ChiralCel OF; 1 ml/min; 60° C.; 254 nm; 20% IPA:Hexanes) tR(3R,5R)=26.97 min./tR(3S,5S)=33.8 min. tR(3R,5S)=38.1 min./tR(3S,5R)=61.0 min.) indicated an enantiomeric excess of the syn isomer of 85%, favoring the (R,R) configuration.

WORKUP

后处理

  1. customtR(3R,5R)=26.97 min.
  2. customtR(3S,5S)=33.8 min.
  3. customtR(3R,5S)=38.1 min.
  4. customtR(3S,5R)=61.0 min.