苄基频哪酯 | 87100-28-5
中文名称:
苄基频哪酯
英文名称:
Benzylboronic acid pinacol ester
CAS No.:
87100-28-5
分子式:
C1 3 H1 9 BO2
分子量:
218.099764108658
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苄基频哪酯结构式
名称和标识符
MDL
MFCD05663841
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
Inchi
1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
SMILES
O1C(C)(C)C(C)(C)OB1CC1C=CC=CC=1
别名信息
- 中文别名 -
苄基频哪酯
苄基硼酸频哪醇酯
2-苄基-4,4,5,5-四甲基-1,3,2-二氧硼戊烷
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2-苄基-4,4,5,5-四甲基-1,3,2-二氧硼戊烷
2-苄基-4,4,5,5-四甲基-1,3,2-二噁硼烷
2-苄基-4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷
2-苄基-4,4,5,5-四甲基-1,3,2-二氧杂硼烷
2-苄基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷
2-苄基硼酸频哪醇酯
苄基硼酸频呐醇酯
4-溴-2-(三氟甲氧基)苯胺
2-苄基-4,4,5,5-四甲基-(1,3,2)二氧杂戊硼烷
- 英文别名 -
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzylboronic acid pinacol ester
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(phenylmethyl)-
Benzylboronicacidpinacolest
2-benzyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
4-BroMo-2-(trifluoroMethoxy)aniline
benzylboronic acid pinacolate ester
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-
benzylboronic pinacol ester
benzyl boronic acid pinacol ester
YCNQPAVKQPLZRS-UHFFFAOYSA-N
ZXBA000111
OR9316
benzylboronic acid pinacol ester 96%
TRA0036915
AB21925
FCH2716512
Benzylboronic acid pinaco
Benzylboronic Acid Pinacol Ester
4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane (ACI)
(1-Phenylmethyl)boronic Acid Pinacol Ester
物化性质
实验特性
LogP
2.08130
PSA
49.69000
折射率
n20/D 1.490
水溶性
Insoluble in water.
沸点
65 °C/0.15 mmHg
熔点
No data available
闪点
华氏:>230 °F 摄氏:>110 °C
颜色与性状
液体
溶解性
未确定
密度
0.980 g/mL at 25 °C
计算特性
精确分子量
236.15800
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
2
同位素质量
218.148
重原子数量
16
复杂度
228
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
18.5
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%
相关文献
1.
One-carbon homologation of arylboronic acids: a convenient approach to the synthesis of pinacol benzylboronates
Chaoqiang Wu,Guojiao Wu,Yan Zhang,Jianbo Wang Org. Chem. Front. 2016 3 817
2.
One-carbon homologation of arylboronic acids: a convenient approach to the synthesis of pinacol benzylboronates
Chaoqiang Wu,Guojiao Wu,Yan Zhang,Jianbo Wang Org. Chem. Front. 2016 3 817
3.
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