HRID53066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

HCID86750657

未命名化合物

PRODUCTS

生成物

结构：CC(C)[C@H](N)C(=O)OC(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.O=C(O)C(F)(F)F

HCID86750658

未命名化合物

收率 76%

PROCEDURE

实验过程

500 mg (0.89 mmol) of (2S)-2-((1,1-dimethylethoxycarbonyl) -amino)-3-methyl-butyric acid [11β,17,21-trihydroxy-3,20-dioxo -pregn-4-en-21-yl] ester (Example 27) is mixed with 1 ml of trifluoroacetic acid and stirred for 10 minutes at room temperature. Then, the trifluoroacetic acid is evaporated in a vacuum. The residue is mixed with stirring with a little diethyl ether, the white precipitate that is produced is suctioned off and dried. 385 mg (76%) of (2S)-2-amino-3-methyl-butyric acid [11β,17,21-trihydroxy-3,20-dioxo-pregn-4-en-21-yl] ester trifluoroacetate is obtained.

WORKUP

后处理

customThen, the trifluoroacetic acid is evaporated in a vacuum
additionThe residue is mixed
stirringwith stirring with a little diethyl ether
customthe white precipitate that is produced
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47a2d8e4b8b645a482a9b6f8488878c1
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05616573

反应 SMILES

[OH:1][C@H:2]1[CH2:37][C@@:36]2([CH3:38])[C@@H:13]([CH2:14][CH2:15][C@:16]2([OH:39])[C:17](=[O:35])[CH:18]([O:20][C:21](=[O:34])[C@@H:22]([NH:26]C(OC(C)(C)C)=O)[CH:23]([CH3:25])[CH3:24])[OH:19])[C@H:12]2[C@H:3]1[C@:4]1([CH3:41])[C:9]([CH2:10][CH2:11]2)=[CH:8][C:7](=[O:40])[CH2:6][CH2:5]1.[F:42][C:43]([F:48])([F:47])[C:44]([OH:46])=[O:45]>>[F:42][C:43]([F:48])([F:47])[C:44]([OH:46])=[O:45].[OH:1][C@H:2]1[CH2:37][C@@:36]2([CH3:38])[C@@H:13]([CH2:14][CH2:15][C@:16]2([OH:39])[C:17](=[O:35])[CH:18]([O:20][C:21](=[O:34])[C@@H:22]([NH2:26])[CH:23]([CH3:25])[CH3:24])[OH:19])[C@H:12]2[C@H:3]1[C@:4]1([CH3:41])[C:9]([CH2:10][CH2:11]2)=[CH:8][C:7](=[O:40])[CH2:6][CH2:5]1