HRID1642062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

HCID13649220

Diethyl [(2-aminophenyl)methyl]phosphonate

C11H18NO3P

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccccc3CP(=O)(OCC)OCC)cc2)cc1

HCID86638333

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID11

1,2-Dichloroethane

C2H4Cl2

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

1 g of (2-amino-benzyl)-phosphonic acid diethyl ester, 2 g of 4′-octyloxy-biphenyl-4-carboxylic acid, 1.4 ml of EDC, 0.9 ml of DIEA and 100 mg of HOAt are dissolved in 30 ml of DMF and the mixture obtained is stirred at rt for 2 days. The mixture obtained is diluted with EtOAc and the solution obtained is washed with aqueous diluted HCl and aqueous NaHCO3 solution. The organic layer obtained is dried and solvent is evaporated. {2-[(4′-Octyloxy-biphenyl-4-carbonyl)-amino]-benzyl}-phosphonic acid diethylester is obtained in crystalline form and is recrystallized from iso-propanol/water.

WORKUP

后处理

customthe mixture obtained
customThe mixture obtained
customthe solution obtained
washis washed with aqueous diluted HCl and aqueous NaHCO3 solution
customThe organic layer obtained
customis dried
customsolvent is evaporated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310c25592dd84c46b45f0c5c1a7438c8
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08119617B2
来源说明: uspto-grants-2012_02

反应 SMILES

[CH2:1]([O:3][P:4]([CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[NH2:16])(=[O:8])[O:5][CH2:6][CH3:7])[CH3:2].[CH2:17]([O:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[CH:37]=[CH:36][C:35]([C:38](O)=[O:39])=[CH:34][CH:33]=2)=[CH:28][CH:27]=1)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].CCN(C(C)C)C(C)C.C1C=NC2N(O)N=NC=2C=1>CN(C=O)C.CCOC(C)=O.C(Cl)CCl>[CH2:6]([O:5][P:4]([CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[NH:16][C:38]([C:35]1[CH:34]=[CH:33][C:32]([C:29]2[CH:30]=[CH:31][C:26]([O:25][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[CH:27][CH:28]=2)=[CH:37][CH:36]=1)=[O:39])(=[O:8])[O:3][CH2:1][CH3:2])[CH3:7]