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【结 构 式】 
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【分子编号】16104 【品名】4-[[(1,3-benzodioxol-5-ylamino)carbothioyl]amino]butyric acid 【CA登记号】 |
【 分 子 式 】C12H14N2O4S 【 分 子 量 】282.32024 【元素组成】C 51.05% H 5% N 9.92% O 22.67% S 11.36% |
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 condensation of gamma-aminobutylic acid (I) with 3,4-methylenedioxyphenylisothiocyanate (II) in ethanol-H2O gives 1-[3-(carboxy)propyl]-3-(3,4-methylenedioxyphenyl)thiourea (III), which is allowed to react with 3-[3-(piperidinomethyl)phenoxy]propylamine (IV) by means of ethyl chloroformate and triethylamine in dichloromethane to afford TRM-115.
| 【1】 Nakazawa, K.; Isozaki, M.; Koyama, S. (Terumo Corp.); Thiourea derivs. JP 93059038 . |
| 【2】 Isozaki, M.; Nakazawa, K.; Nanba, R.; Matsushima, H.; Koyama, S.; Synthesis of TRM-115. Terumo Co., Ltd. Internal Report . |
| 【3】 Matsushima, H.; Nanba, R.; Isozaki, M.; Nakazawa, K.; Koyama, S.; Synthesis of TRM-115, a new antiulcer agent, and its pharmacological action. 113th Annu Meet Pharmaceut Soc Jpn (March 29-31, Osaka) 1993, Abst 29PB 13-04.. |
| 【4】 Takenaga, T.; Isozaki, M.; TRM-115. Drugs Fut 1993, 18, 10, 909. |
| 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) | 13620 | 4-Amino-n-butyric acid; 4-Aminobutyric acid;Piperidinic acid;Piperidic acid | 56-12-2 | C4H9NO2 | 详情 | 详情 |
| (II) | 16103 | 1,3-benzodioxol-5-yl isothiocyanate; 5-isothiocyanato-1,3-benzodioxole | 113504-93-1 | C8H5NO2S | 详情 | 详情 |
| (III) | 16104 | 4-[[(1,3-benzodioxol-5-ylamino)carbothioyl]amino]butyric acid | C12H14N2O4S | 详情 | 详情 | |
| (IV) | 16105 | 3-[3-(piperidinomethyl)phenoxy]-1-propanamine; 3-[3-(piperidinomethyl)phenoxy]propylamine | C15H24N2O | 详情 | 详情 |
Extended Information