HRID1177242

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：CN(C)C(=O)c1ccc(Oc2cc(C(=O)OC(C)(C)C)cc3c2CC(C)(CO)O3)cc1F

HCID59560164

未命名化合物

PRODUCTS

生成物

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

HCID59560288

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-dimethylcarbamoyl-3-fluoro-phenoxy)-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester (229a) and methyl iodide. 1H NMR (400 MHz, CDCl3) δ 7.36 (t, J=8.21 Hz, 1 H) 7.26 (s, 1 H) 7.20 (s, 1 H) 6.78 (dd, J=8.46, 1.89 Hz, 1 H) 6.66 (dd, J=10.74, 1.89 Hz, 1 H) 3.40-3.49 (m, 2 H) 3.39 (s, 3 H) 3.07-3.14 (m, 4 H) 2.97 (s, 3 H) 2.76 (d, J=16.67 Hz, 1 H) 1.56 (s, 9 H) 1.45 (s, 3 H); LCMS for C25H30FNO6 m/z 482.00 (M+Na)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57f5d33559a7401fae1ffe000754c6cd
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](=[O:61])[N:58]([CH3:60])[CH3:59])=[C:53]([F:62])[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](=[O:61])[N:58]([CH3:59])[CH3:60])=[C:53]([F:62])[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])([CH3:34])[CH3:33]