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HRID523461

反应详情

EQUATION

反应方程式

HRID 523461 的结构方程式

REACTANTS

反应物

5
结构：O=C1C=CC(=O)O1
HCID7923

2,5-Furandione

C4H2O3

结构：NN
HCID9321

Hydrazine

H4N2

结构：C1=CC=CCC=C1
HCID11000

1,3,5-Cycloheptatriene

C7H8

结构：COC(=O)c1ccc(C(F)(F)F)cc1
HCID520447

Methyl 4-(trifluoromethyl)benzoate

C9H7F3O2

结构：O.O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1
HCID90479083

未命名化合物

PRODUCTS

生成物

1
结构：NNC(=O)c1ccc(C(F)(F)F)cc1
HCID520662

4-(Trifluoromethyl)benzhydrazide

C8H7F3N2O

AUXILIARIES

试剂、催化剂与溶剂

3
结构：Cc1ccccc1
溶剂HCID1140

Toluene

C7H8

结构：CC(C)O
溶剂HCID3776

Isopropanol

C3H8O

结构：CCCCCCC.Cc1ccccc1
溶剂HCID22263336

未命名化合物

PROCEDURE

实验过程

More specifically, to prepare ST-246 monohydrate, Form I, cycloheptatriene is reacted with maleic anhydride in the presence of toluene to yield the major product, endo isomer. The exo isomer is further produced from about 7% to 0.6% by crystallization from toluene/heptane. Further, hydrazine in the anhydrous or hydrate form is reacted with Methyl 4-(trifluoromethyl)benzoate in the presence of isopropanol to yield (4-(trifluoromethyl)-benzhydrazide. The product is then crystallized from isopropanol.

WORKUP

后处理

  1. customto yield the major product, endo isomer