HRID431286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID25419

Clodronic acid

CH4Cl2O6P2

结构：NC(=O)C1=CN(C2OC(COP(=O)([O-])OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)([O-])[O-])C3O)C(O)C2O)C=CC1.[Na+].[Na+].[Na+].[Na+]

HCID12598259

未命名化合物

PRODUCTS

生成物

HCID14798

Sodium Hydroxide

HNaO

HCID12598259

未命名化合物

PROCEDURE

实验过程

GB 1026366 describes the preparation of the tetrasodium salt of dichloromethylenebisphosphonic acid by refluxing dichloromethylene bisphosphonate tetraisopropyl ester with concentrated hydrochloric acid. The acidic solution was concentrated and twice azeotroped with isopropanol. Neutralisation of the acid with sodium hydroxide yielded the tetrasodium salt.

WORKUP

后处理

concentrationThe acidic solution was concentrated
customtwice azeotroped with isopropanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4a992fc0f03429cbe6d51cb65e9e395
来源数据集: uspto-grants-2003_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06657076B1
来源说明: uspto-grants-2003_12

反应 SMILES

[CH2:1]1[C:6]([C:7]([NH2:9])=[O:8])=[CH:5][N:4]([CH:10]2[O:14][CH:13]([CH2:15][O:16][P:17]([O:20][P:21]([O:24][CH2:25][CH:26]3[O:30][CH:29]([N:31]4[C:35]5[N:36]=[CH:37][N:38]=[C:39]([NH2:40])[C:34]=5[N:33]=[CH:32]4)[CH:28]([O:41][P:42]([O-:45])([O-:44])=[O:43])[CH:27]3[OH:46])([O-:23])=[O:22])([O-:19])=[O:18])[CH:12]([OH:47])[CH:11]2[OH:48])[CH:3]=[CH:2]1.[Na+:49].[Na+].[Na+].[Na+].ClC(Cl)(P(=O)(O)O)P(=O)(O)O.Cl>>[OH-:8].[Na+:49].[CH2:1]1[C:6]([C:7]([NH2:9])=[O:8])=[CH:5][N:4]([CH:10]2[O:14][CH:13]([CH2:15][O:16][P:17]([O:20][P:21]([O:24][CH2:25][CH:26]3[O:30][CH:29]([N:31]4[C:35]5[N:36]=[CH:37][N:38]=[C:39]([NH2:40])[C:34]=5[N:33]=[CH:32]4)[CH:28]([O:41][P:42]([O-:44])([O-:45])=[O:43])[CH:27]3[OH:46])([O-:23])=[O:22])([O-:19])=[O:18])[CH:12]([OH:47])[CH:11]2[OH:48])[CH:3]=[CH:2]1.[Na+:49].[Na+:49].[Na+:49].[Na+:49]