HRID1631181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OP(=O)([O-])OC(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC

HCID22339116

N,N,N-Tributylbutan-1-aminium di-tert-butyl phosphate

C24H54NO4P

结构：Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3CCl)ccc2n1

HCID66837605

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OP(=O)(OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1)OC(C)(C)C

HCID66836649

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

800 mg of tetrabutylammonium di-tert-butylphosphate are added to 270 mg of [2-amino-6-(2-chloromethyl-4,5-difluorophenyl)quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone dissolved in 20 ml of acetonitrile, and the solution obtained is heated at 80° C. for 2 h. After cooling to 25° C., undissolved material is filtered off, and the filtrate is evaporated to dryness in vacuo. The residue is dissolved in 1 ml of dimethyl sulfoxide and purified by chromatography (reversed phase).

WORKUP

后处理

customthe solution obtained
temperatureAfter cooling to 25° C.
filtrationundissolved material is filtered off
customthe filtrate is evaporated to dryness in vacuo
dissolutionThe residue is dissolved in 1 ml of dimethyl sulfoxide
custompurified by chromatography (reversed phase)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44a1641c3abb4f5384e7ba77deb27cf0
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08791129B2
来源说明: uspto-grants-2014_07

反应 SMILES

[C:1]([O:5][P:6]([O-:13])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])([CH3:4])([CH3:3])[CH3:2].C([N+](CCCC)(CCCC)CCCC)CCC.[NH2:31][C:32]1[N:41]=[C:40]([C:42]([N:44]2[CH2:52][C:51]3[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=3)[CH2:45]2)=[O:43])[C:39]2[C:34](=[CH:35][CH:36]=[C:37]([C:53]3[CH:58]=[C:57]([F:59])[C:56]([F:60])=[CH:55][C:54]=3[CH2:61]Cl)[CH:38]=2)[N:33]=1>C(#N)C>[P:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])([O:13][CH2:61][C:54]1[CH:55]=[C:56]([F:60])[C:57]([F:59])=[CH:58][C:53]=1[C:37]1[CH:38]=[C:39]2[C:34](=[CH:35][CH:36]=1)[N:33]=[C:32]([NH2:31])[N:41]=[C:40]2[C:42]([N:44]1[CH2:45][C:46]2[C:51](=[CH:50][CH:49]=[CH:48][CH:47]=2)[CH2:52]1)=[O:43])=[O:7]