3-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯胺 → (R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine

HRID 272

反应方程式

HRID 272 反应方程式
CN1Cc2cnc(Cl)nc2O[C@H](c2ccccc2)C1.COc1cc(N)ccc1-n1cnc(C)c1>CC(C)(C)[O-].Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>COc1cc(Nc2ncc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-n1cnc(C)c1

参与物

7

反应物 2

HCID 454801813-甲氧基-4-(4-甲基-1H-咪唑-1-基)苯胺HCID 59577867(R)-2-chloro-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepine

产物 1

HCID 49820859(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine收率 0%

试剂、催化剂与溶剂 4

HCID 23676156叔丁醇钠试剂HCID 6348761,1'-联萘-2,2'-双二苯膦 (BINAP)催化剂HCID 9811564三(二亚苄基丙酮)二钯催化剂HCID 1140甲苯溶剂

反应条件

温度
120 °C

实验过程

The aim is optimization. (R)-2-chloro-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepine (29 mg, 0.11 mmol), 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline (21.38 mg, 0.11 mmol), Sodium tert-butoxide (15.16 mg, 0.16 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (9.17 mg, 0.01 mmol) and Tris(dibenzylideneacetone)dipalladium(0) (6.74 mg, 7.36 µmol) were added to a microwave vial then toluene (1 mL) was added. The reaction mixture was flushed with nitrogen and the mixture was heated to 120°C for 45 min. Small amount of product was formed. Abandoned.

来源与证据

ORD记录
ord-53ad2bbc851349aeae5fd4d95fae57a4
来源数据集
750 AstraZeneca ELN dataset
原始链接
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