HRID234519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12019

3-Pentanamine

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F

HCID151348

Tri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphate

C12H22F6N6OP2

结构：CN(C)C1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc(Cl)cc21

HCID19076426

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC)C(=O)c1ccc(CN2C(=O)C(c3ccccc3Cl)(N(C)C)c3cc(Cl)ccc32)cc1

HCID57103526

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226206

未命名化合物

PROCEDURE

实验过程

This compound is prepared according to the procedure described in step B of EXAMPLE 94 from 0.623 g of the compound obtained in step A of EXAMPLE 94 and 0.24 ml of 1-ethylpropylamine, in the presence of 0.605 g of BOP and in the presence of DIPEA in order to maintain a pH of 7. Chromatography on silica using a gradient of a hexane/AcOEt mixture (from 90/10; v/v to 70/30; v/v) as the eluent gives the expected product after crystallization from a DCM/hexane mixture. m=0.490 g. M.p.=208° C.

WORKUP

后处理

customThis compound is prepared
temperatureto maintain a pH of 7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4907f395a974688b28da7a8b919598c
来源数据集: uspto-grants-1997_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05594023
来源说明: uspto-grants-1997_01

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12]1[CH:20]=[CH:19][C:15]([C:16]([OH:18])=O)=[CH:14][CH:13]=1)[C:6](=[O:21])[C:5]2([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[Cl:31])[N:22]([CH3:24])[CH3:23].C([CH:34]([NH2:37])[CH2:35][CH3:36])C.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)[C:49]2C=CC=C[C:48]=2N=N1.CCN(C(C)C)C(C)C>CCCCCC.CCOC(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12]1[CH:20]=[CH:19][C:15]([C:16](=[O:18])[N:37]([CH2:34][CH2:35][CH3:36])[CH2:48][CH3:49])=[CH:14][CH:13]=1)[C:6](=[O:21])[C:5]2([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[Cl:31])[N:22]([CH3:24])[CH3:23]