HRID1177247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

结构：COCC1Cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)OC(C)(C)C)cc2O1

HCID59559940

未命名化合物

结构：CC(C)(C)OC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)c(F)c2)c2c(c1)OC(C)(CO)C2

HCID59559949

未命名化合物

PRODUCTS

生成物

结构：COCC1(C)Cc2c(Oc3ccc(C(=O)N4CCC4)c(F)c3)cc(C(=O)OC(C)(C)C)cc2O1

HCID59560043

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in a similar manner as described for Intermediate 201a, from 4-[4-(azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester (240a) and methyl iodide. 1H NMR (400 MHz, CDCl3) δ 7.86 (d, J=8.84 Hz, 2 H) 7.22 (s, 1 H) 7.07 (d, J=8.84 Hz, 2 H) 3.41-3.52 (m, 2 H) 3.40 (s, 3 H) 3.11 (d, J=16.67 Hz, 1 H) 2.76 (d, J=16.67 Hz, 1 H) 2.48 (td, J=7.89, 4.67 Hz, 1 H) 1.56 (s, 9 H) 1.46 (s, 3 H) 1.32-1.43 (m, 2 H) 1.00-1.12 (m, 2 H); LCMS for C26H30FNO6 m/z 472.20 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9da0b607d49b4e48952031659cfe78a2
来源数据集: uspto-grants-2010_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07842713B2
来源说明: uspto-grants-2010_11

反应 SMILES

[C:1](OC(C1C=C(OC2C=CC(S(C)(=O)=O)=CC=2)C2CC(COC)OC=2C=1)=O)(C)(C)C.[C:31]([O:35][C:36]([C:38]1[CH:49]=[C:48]([O:50][C:51]2[CH:56]=[CH:55][C:54]([C:57]([N:59]3[CH2:62][CH2:61][CH2:60]3)=[O:58])=[C:53]([F:63])[CH:52]=2)[C:41]2[CH2:42][C:43]([CH2:46][OH:47])([CH3:45])[O:44][C:40]=2[CH:39]=1)=[O:37])([CH3:34])([CH3:33])[CH3:32].CI>>[C:31]([O:35][C:36]([C:38]1[CH:49]=[C:48]([O:50][C:51]2[CH:56]=[CH:55][C:54]([C:57]([N:59]3[CH2:62][CH2:61][CH2:60]3)=[O:58])=[C:53]([F:63])[CH:52]=2)[C:41]2[CH2:42][C:43]([CH2:46][O:47][CH3:1])([CH3:45])[O:44][C:40]=2[CH:39]=1)=[O:37])([CH3:32])([CH3:33])[CH3:34]