952183-40-3
中文名称
4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯
英文名称
4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected
CAS
952183-40-3
分子式
C13H22N4O2S
分子量
298.4
MOL 文件
952183-40-3.mol
结构式
基本信息
中文别名
4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯
英文别名
4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected
3-(1-Bocpiperidin-4-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Tert-butyl 4-(5-mercapto-4-methyl-4h-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-butyl 4-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
tert-Butyl 4-(4-methyl-5-sulphanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
1-Piperidinecarboxylic acid, 4-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-, 1,1-dimethylethyl ester
3-(1-Bocpiperidin-4-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Tert-butyl 4-(5-mercapto-4-methyl-4h-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-butyl 4-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
tert-Butyl 4-(4-methyl-5-sulphanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
1-Piperidinecarboxylic acid, 4-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-, 1,1-dimethylethyl ester
物理化学性质
| 熔点 | 228-230 |
| 沸点 | 380.8±52.0 °C(Predicted) |
| 密度 | 1.29±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 9.53±0.20(Predicted) |
| 形态 | solid |
| InChI | 1S/C13H22N4O2S/c1-13(2,3)19-12(18)17-7-5-9(6-8-17)10-14-15-11(20)16(10)4/h14H,5-8H2,1-4H3,(H,15,20) |
| InChIKey | VHHXOABXEVMTRV-UHFFFAOYSA-N |
安全数据
| 危险性符号(GHS) |   GHS07,GHS09 |
| 警示词 | 警告 |
| 危险性描述 | H315-H317-H319-H400 |
| 防范说明 | P261-P264-P273-P280-P280-P391 |
| 危险品标志 | Xi |
| WGK Germany | WGK 3 |
| 危险等级 | IRRITANT |
| 海关编码 | 2933399990 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Aquatic Acute 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |