CAS号:630119-99-2-1-Piperidinecarboxylic acid,4-hydroxy-4-(2-thienyl)-,1,1-dimethylethyl ester - Tert-butyl 4-hydroxy-4-(thiophen-2-yl)piperidine-1-carboxylate-科华智慧

1. 主信息

英文名:	Tert-butyl 4-hydroxy-4-(thiophen-2-yl)piperidine-1-carboxylate
中文名:	1-Piperidinecarboxylic acid,4-hydroxy-4-(2-thienyl)-,1,1-dimethylethyl ester
CAS编号:	630119-99-2
化学分子式：	C₁₄H₂₁NO₃S
化学分子量：	283.39 g/mol
SMILES：	CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CS2)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	100mg	95%	288	-20°C	现货	-
科华智慧	250mg	95%	480	-20°C	现货	-
科华智慧	1g	95%	960	-20°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 40 41 0 0 0 0 0 0 0999 V2000 -3.9434 -0.9197 1.1906 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 1.9202 1.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -0.4959 0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 0.8505 -1.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 0.2122 -0.3493 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 0.9698 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 0.2643 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 1.7804 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0578 -0.5931 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 0.9416 -1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 0.0146 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 0.2388 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 -0.5204 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -0.2259 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 -1.1899 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 -1.6494 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7363 0.9114 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 -1.3801 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 -1.1296 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.3404 2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 1.0289 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 2.6034 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8818 2.2662 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -1.0500 1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 -1.4093 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 0.1975 -1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 1.5934 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 2.5250 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 0.2622 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9152 -1.5272 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 0.9099 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 1.4491 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 1.5127 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -1.4482 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.9713 2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 -2.3947 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6191 -1.4205 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 -0.4596 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.0269 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6097 -2.3783 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 40 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

tert-butyl 4-hydroxy-4-thiophen-2-ylpiperidine-1-carboxylate

4.2 InChl

InChI=1S/C14H21NO3S/c1-13(2,3)18-12(16)15-8-6-14(17,7-9-15)11-5-4-10-19-11/h4-5,10,17H,6-9H2,1-3H3

4.3 InChlKey

LWEUZOXYUOEMQN-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CS2)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型