HRID409626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6116

Calcium acetate

C4H6CaO4

2 次

HCID5284359

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]

HCID5282455

Rosuvastatin calcium

C44H54CaF2N6O12S2

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

The rosuvastatin potassium salt obtained is further treated with mixture of toluene and ethyl acetate followed by treatment with suitable calcium source like calcium chloride, calcium acetate, calcium hydroxide and the like. In particular, calcium acetate is used to obtain rosuvastatin calcium salt. The isolated rosuvastatin calcium is in amorphous form.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4576a266c4144cb199ef921f97ed8560
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08759518B2
来源说明: uspto-grants-2014_06

反应 SMILES

[CH3:1][CH:2]([C:4]1[N:9]=[C:8]([N:10]([S:12]([CH3:15])(=[O:14])=[O:13])[CH3:11])[N:7]=[C:6]([C:16]2[CH:17]=[CH:18][C:19]([F:22])=[CH:20][CH:21]=2)[C:5]=1/[CH:23]=[CH:24]/[C@@H:25]([OH:33])[CH2:26][C@@H:27]([OH:32])[CH2:28][C:29]([OH:31])=[O:30])[CH3:3].[K].[Ca:35].[Cl-].[Ca+2].[Cl-].C([O-])(=O)C.[Ca+2].C([O-])(=O)C.[OH-].[Ca+2].[OH-]>C(OCC)(=O)C.C1(C)C=CC=CC=1>[CH3:1][CH:2]([CH3:3])[C:4]1[C:5](/[CH:23]=[CH:24]/[C@H:25]([CH2:26][C@H:27]([CH2:28][C:29]([O-:31])=[O:30])[OH:32])[OH:33])=[C:6]([C:16]2[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=2)[N:7]=[C:8]([N:10]([CH3:11])[S:12]([CH3:15])(=[O:13])=[O:14])[N:9]=1.[CH3:1][CH:2]([CH3:3])[C:4]1[C:5](/[CH:23]=[CH:24]/[C@H:25]([CH2:26][C@H:27]([CH2:28][C:29]([O-:31])=[O:30])[OH:32])[OH:33])=[C:6]([C:16]2[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=2)[N:7]=[C:8]([N:10]([CH3:11])[S:12]([CH3:15])(=[O:13])=[O:14])[N:9]=1.[Ca+2:35]