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286961-14-6 分子结构
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tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

ChemBase编号:29867
分子式:C16H28BNO4
平均质量:309.20882
单一同位素质量:309.21113878
SMILES和InChIs

SMILES:
C1(=CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
InChI:
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3
InChIKey:
VVDCRJGWILREQH-UHFFFAOYSA-N

引用这个纪录

CBID:29867 http://www.chembase.cn/molecule-29867.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
IUPAC传统名
tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
别名
(N-叔丁氧羰基)-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯
N-Boc-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯
tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-an-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
(1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester
(N-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester
(N-tert-Butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)boronic acid pinacol ester
(N-tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
tert-Butyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-1(2H)-carboxylate
1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, N-BOC protected
N-(tert-butoxycarbonyl)-3,6-dihydro-2H-pyridine-4-boronic acid pinacol ester
[1-Boc-1,2,3,6-tetrahydropyridine-4-yl]boronic acid pinacol ester
N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CAS号
286961-14-6
MDL号
MFCD03840345
PubChem SID
160993174
PubChem CID
4642098

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 2.6289  LogD (pH = 7.4) 2.6289 
Log P 2.6289  摩尔折射率 82.3596 cm3
极化性 33.774742 Å3 极化表面积 48.0 Å2
可自由旋转的化学键 里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
熔点
100-114 °C expand 查看数据来源
115-117°C expand 查看数据来源
疏水性(logP)
3.606 expand 查看数据来源
保存注意事项
Harmful/Irritant/Keep Cold/Store under Argon expand 查看数据来源
IRRITANT expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
TSCA收录
false expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
纯度
95% expand 查看数据来源
96% expand 查看数据来源
97% expand 查看数据来源
98% expand 查看数据来源
Empirical Formula (Hill Notation)
C16H28BNO4 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  706531 external link
包装
1 g in glass bottle
250 mg in glass bottle
Application
Reagent used for
• Suzuki-Miyaura cross-coupling using palladium phosphine catalyst1
• Palladium-catalyzed ligand-controlled regioselective Suzuki coupling2
• Palladium-catalyzed Suzuki-Miyaura coupling3
• Suzuki coupling followed by iodolactonization reaction4
• Wrenchnolol derivative optimized for gene activation in cells5 Reagent used in Preparation of several enzymatic inhibitors and receptor ligands
• Orally active anaplastic lymphoma kinase inhibitors6
• Oxazolecarboxamides as diacylglycerol acyltransferase-1 inhibitors for treatment of obesity and diabetes7
• 4-arylpiperidinyl amides and N-arylpiperidin-3-yl-cyclopropanecarboxamides as novel melatonin receptor ligands8
• Quinazoline analogs as glucocerebrosidase inhibitors with chaperone activity for treatment of Gaucher disease, a lysosomal storage disorder9
• Arylpiperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1A partial agonists10

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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