化工社
首页MCP工作台Skills
首页工作台通知我的
llms.txt · MCP 指南隐私政策 · 服务条款 · 支持v1.8.0
  1. 首页
  2. /反应

盐酸 → 10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid

HRID 1982926
笔记
打印预览

反应方程式

HRID 1982926 反应方程式
[OH-].C([N+](CCCC)(CCCC)CCCC)CCC.[CH:19]1([C:25]2[C:26]3[CH:27]=[CH:28][C:29]([C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])=[CH:30][C:31]=3[N:32]3[CH2:38][C:37]([C:39]([O:41]C)=[O:40])=[CH:36][C:35]4[CH:43]=[C:44]([O:47][CH3:48])[CH:45]=[CH:46][C:34]=4[C:33]=23)[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1.Cl>CO.C1COCC1>[C:52]([O:51][C:49]([C:29]1[CH:28]=[CH:27][C:26]2[C:25]([CH:19]3[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]3)=[C:33]3[C:34]4[CH:46]=[CH:45][C:44]([O:47][CH3:48])=[CH:43][C:35]=4[CH:36]=[C:37]([C:39]([OH:41])=[O:40])[CH2:38][N:32]3[C:31]=2[CH:30]=1)=[O:50])([CH3:55])([CH3:53])[CH3:54]
参与物实验过程后处理来源与证据反应笔记

参与物

6

反应物 3

HCID 313盐酸HCID 2723671四丁基氢氧化铵HCID 5983755810-tert-butyl 6-methyl 13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate

产物 1

HCID 5771220210-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid收率 118%

试剂、催化剂与溶剂 2

HCID 887Methanol
溶剂
HCID 8028四氢呋喃溶剂

实验过程

Tetrabutylammonium hydroxide (40% in water, 14.4 mL, 22 mmol) was added to a slurry of 10-tert-butyl 6-methyl 13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate (5.0 g, 10 mmol) in MeOH (40 mL) and THF (40 mL) and the reaction was stirred at rt ON (complete by LCMS). The reaction mixture was neutralized with 1N HCl (aq) (24 mL) and concentrated to remove the organic solvents. The sludge was diluted with water, stirred and the solids were collected by filtration. The wet solids were dissolved into EtOAc (˜250 mL), washed with brine (100 mL), dried (MgSO4), filtered and concentrated to yield 10-(tert-butoxycarbonyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid (5.73 g, 11.8 mmol, 118% yield) as a bright yellow solid. The product appears to be mixed with a tetrabutylammonium by-product. The material was used without further purification. 1HNMR (300 MHz, CDCl3) δ ppm 1.14-2.13 (m, 10H), 1.60 (s, 9H), 2.73-2.86 (m, 1H), 3.89 (s, 3H), 4.03-4.26 (m, 1H), 5.49-5.80 (m, 1H), 6.98 (d, J=2.6 Hz, 1H), 7.07 (dd, J=8.4, 2.6 Hz, 1H), 7.56 (d, J=8.4 Hz, 1H), 7.64 (dd, J=8.4, 1.1 Hz, 1H), 7.79 (d, J=8.4 Hz, 1H), 7.89 (br s, 1H), 8.19 (s, 1H. LC-MS retention time: 4.32 min; 488 m/z (MH +). LC data was recorded on a Shimadzu LC-10AS liquid chromatograph equipped with a Phenomenex-Luna 10u C18 3.0×50 mm column using a SPD-10AV UV-Vis detector at a detector wave length of 220 nM. The elution conditions employed a flow rate of 5 mL/min, a gradient of 100% solvent A/0% solvent B to 0% solvent A/100% solvent B, a gradient time of 4 min, a hold time of 1 min, and an analysis time of 5 min where solvent A was 10% MeOH/90% H2O/0.1% trifluoroacetic acid and solvent B was 10% H2O/90% MeOH/0.1% trifluoroacetic acid. MS data was determined using a Micromass Platform for LC in electrospray mode.

后处理

  1. concentrationconcentrated
  2. customto remove the organic solvents
  3. additionThe sludge was diluted with water
  4. stirringstirred
  5. filtrationthe solids were collected by filtration
  6. dissolutionThe wet solids were dissolved into EtOAc (˜250 mL)
  7. washwashed with brine (100 mL)
  8. dry with materialdried (MgSO4)
  9. filtrationfiltered
  10. concentrationconcentrated

来源与证据

ORD记录
ord-e898607eb7ef49ea9ea42e733afda24b
来源数据集
uspto-grants-2009_06
DOI
10.6084/m9.figshare.5104873.v1
专利号
US07541351B2

反应笔记

加载中…

本页导航参与物实验过程后处理来源与证据反应笔记