HRID267331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

HCID8376

2,4,6-Trinitrotoluene

C7H5N3O6

结构：O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c2[N+](=O)[O-])c([N+](=O)[O-])c1

HCID14927170

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc([N+](=O)[O-])c(Cc2c([N+](=O)[O-])cc([N+](=O)[O-])c(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1

HCID21556923

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

PROCEDURE

实验过程

The reaction of 4.5 g (0.02 mole) of TNT with 4.6 g, (0.01 mole) of 3-chloro-2,2',4,4',6,6'-hexanitrobiphenyl was carried out as above. After extracting the crude reaction product with methanol until the extracts were light colored, the somewhat gummy residue was dissolved in acetone, an equal volume of methanol was added and the solution was heated, with magnetic stirring, on a hot plate. A light yellow crystalline material separated, was filtered off and dried. It weighed 1.7 g, 25% of the theoretical yield. Recrystallized from acetone methanol formed faintly yellow rod-like crystals, mp 255°-256°. Anal. Calcd for C19H7N9O18 : C, 35.1; H, 1.1; N, 19.4. Found: C, 34.9, 34.2; H, 1.6, 1.2; N, 19.2, 18.8.

WORKUP

后处理

extractionAfter extracting the crude
customreaction product with methanol until the extracts
temperaturethe solution was heated, with magnetic stirring, on a hot plate
customA light yellow crystalline material separated
filtrationwas filtered off
customdried
customRecrystallized from acetone methanol
customformed faintly yellow rod-like crystals, mp 255°-256°

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d32c2f24e7b4d6f9293d7a817d07d8f
来源数据集: uspto-grants-1976_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US03941853
来源说明: uspto-grants-1976_03

反应 SMILES

[CH3:1][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][C:5]([N+:11]([O-:13])=[O:12])=[CH:4][C:3]=1[N+:14]([O-:16])=[O:15].Cl[C:18]1[C:19]([N+:45]([O-:47])=[O:46])=[C:20]([C:30]2[C:35]([N+:36]([O-:38])=[O:37])=[CH:34][C:33]([N+:39]([O-:41])=[O:40])=[CH:32][C:31]=2[N+:42]([O-:44])=[O:43])[C:21]([N+:27]([O-:29])=[O:28])=[CH:22][C:23]=1[N+:24]([O-:26])=[O:25].CO>CC(C)=O>[N+:8]([C:7]1[CH:6]=[C:5]([N+:11]([O-:13])=[O:12])[CH:4]=[C:3]([N+:14]([O-:16])=[O:15])[C:2]=1[CH2:1][C:22]1[C:21]([N+:27]([O-:29])=[O:28])=[C:20]([C:30]2[C:31]([N+:42]([O-:44])=[O:43])=[CH:32][C:33]([N+:39]([O-:41])=[O:40])=[CH:34][C:35]=2[N+:36]([O-:38])=[O:37])[C:19]([N+:45]([O-:47])=[O:46])=[CH:18][C:23]=1[N+:24]([O-:26])=[O:25])([O-:10])=[O:9]