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【结 构 式】 
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【分子编号】60714 【品名】(4-chloro-3-nitrophenyl)(4-fluorophenyl)methanone 【CA登记号】 |
【 分 子 式 】C13H7ClFNO3 【 分 子 量 】279.6546232 【元素组成】C 55.83% H 2.52% Cl 12.68% F 6.79% N 5.01% O 17.16% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(III)The Friedel Krafts reaction of fluorobenzene (I) and 3-nitro-4-chlorobenzoyl chloride (II) by means of AlCl3 gives 3-nitro-4-chloro-4’-fluorobenzophenone (III), which by reaction with NH3 in ethylenglycol at 130 C yields 3-nitro-4-amino-4’-fluorobenzophenone (IV). The reduction of (IV) with H2 over Pd/C in methanol affords 3,4-diamino-4’-fluorobenzophenone (V), which is finally cyclized with S-methylthiourea (VI) and methyl chloroformate by means of NaOH in water
| 【1】 Tan, K.; Duquette, M.; Liu, J.H.; Dong, Y.; Zhang, R.; Joachimiak, A.; Lawler, J.; Wang, J.H.; Crystal structure of the TSP-1 type 1 repeats: A novel layered fold and its biological implication. Arzneim-Forsch Drug Res 1978, 28, 4, 586. |
| 【2】 Van Gelder, J.L.H.; et al. (Janssen Pharmaceutica NV); BE 752089; DE 2029637; FR 2052988; GB 1307306; US 3657267; ZA 7004191 . |
| 【3】 Castaner, J.; Bogan, J.A.; Flubendazole.. Drugs Fut 1978, 3, 10, 739. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 17466 | Fluorobenzene | 462-06-6 | C6H5F | 详情 | 详情 |
| (II) | 14486 | 4-Chloro-3-nitrobenzoylchloride; 4-chloro-3-nitrobenzoyl chloride | 38818-50-7 | C7H3Cl2NO3 | 详情 | 详情 |
| (III) | 60714 | (4-chloro-3-nitrophenyl)(4-fluorophenyl)methanone | C13H7ClFNO3 | 详情 | 详情 | |
| (IV) | 60715 | (4-amino-3-nitrophenyl)(4-fluorophenyl)methanone | C13H9FN2O3 | 详情 | 详情 | |
| (V) | 60716 | (3,4-diaminophenyl)(4-fluorophenyl)methanone | C13H11FN2O | 详情 | 详情 | |
| (VI) | 10272 | [[Amino(imino)methyl]sulfanyl]methane | 2986-19-8 | C2H6N2S | 详情 | 详情 |
Extended Information