CAS 286961-14-6|(N-叔丁氧羰基)-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯|(1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester|N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinaco...

基本信息

化学结构

分子式

C₁₆H₂₈BNO₄

分子量

309.20882

精确质量

309.21113878

电荷

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

Canonic Smiles

O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Isomeric Smiles

C1(=CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C

计算属性

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

极化性

33.774742

极化表面积

48.0

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

(N-叔丁氧羰基)-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯(N-tert-Butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)boronic acid pinacol esterN-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterN-Boc-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯(N-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester(N-tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester(1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol estertert-Butyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-1(2H)-carboxylateN-(tert-butoxycarbonyl)-3,6-dihydro-2H-pyridine-4-boronic acid pinacol estertert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, N-BOC protectedtert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateN-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol estertert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-an-2-yl)-5,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate[1-Boc-1,2,3,6-tetrahydropyridine-4-yl]boronic acid pinacol ester

IUPAC传统名

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

IUPAC标准名

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

数据登录号

化合物性质

安全信息

保存注意事项

IRRITANT

Harmful/Irritant/Keep Cold/Store under Argon

下载链接

false

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

理化性质

115-117°C

100-114 °C

3.606

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

706531

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

描述信息

参考文献

PubChem文献

暂无数据

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参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC传统名

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

IUPAC标准名

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

描述信息

706531

参考文献

PubChem文献

暂无数据

点击上传数据

生物活性

PubChem BioAssay

化合物性质

安全信息

保存注意事项

IRRITANT

Harmful/Irritant/Keep Cold/Store under Argon

下载链接

false

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

理化性质

115-117°C

100-114 °C

3.606

化合物信息

ID:29867