4-(4-Boc-1-哌嗪甲基)苯硼酸频哪醇酯 | 936694-19-8
4-(4-Boc-1-哌嗪甲基)苯硼酸频哪醇酯
tert-butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine-1-carboxylate
936694-19-8
C22H35BN2O4
402.335306406021
名称和标识符
MDL |
MFCD16294502 |
InChIKey |
AAEYFMAHSYKHGD-UHFFFAOYSA-N |
Inchi |
1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-8-10-18(11-9-17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3 |
SMILES |
O=C(N1CCN(CC2C=CC(B3OC(C)(C)C(C)(C)O3)=CC=2)CC1)OC(C)(C)C |
别名信息
- 中文别名 -
- 4-(4-Boc-1-哌嗪甲基)苯硼酸频哪醇酯
- 4-[[4-(4,4,5,5-四甲基-1,3,2-二氧硼杂环戊烷-2-基)苯基]甲基]哌嗪-1-羧酸叔丁酯
- 4-(4-Boc-哌嗪甲基)苯基硼酸频哪醇酯
- 英文别名 -
- tert-Butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylate
- 4-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
- 4-((4-BOC-PIPERAZINE)METHYL) PHENYLBORONIC ACID PINACOL ESTER
- tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
- tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine-1-carboxylate
- tert-Butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
- tert-butyl 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine-1-carboxylate
物化性质
实验特性
LogP |
2.91430 |
PSA |
51.24000 |
熔点 |
125-130 °C |
密度 |
1.10±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
402.26900 |
氢键供体数量 |
0 |
氢键受体数量 |
6 |
可旋转化学键数量 |
6 |
重原子数量 |
29 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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