CAS 286961-14-6 Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate (HCID 4642098)

名称と識別子

優先名称: Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
IUPAC: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
現地名: 1-(tert-ブトキシカルボニル)-1,2,3,6-テトラヒドロ-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリジン
英語名: N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
分子式: C16H28BNO4
分子量: 309.21

名称と別名

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateRefChem:893702689-148-0286961-14-6N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol estertert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateTert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate1-N-BOC-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINEMFCD03840345N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterTERT-BUTYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATEtert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

名称をさらに表示

4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1,2,3,6-テトラヒドロピリジン-1-カルボン酸TERT-ブチル1-(tert-ブトキシカルボニル)-1,2,3,6-テトラヒドロ-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリジン1-(tert-ブトキシカルボニル)-1,2,3,6-テトラヒドロ-4-ピリジルボロン酸ピナコール1-Boc-1,2,3,6-テトラヒドロピリジン-4-ボロン酸ピナコール2-[1-(tert-ブトキシカルボニル)-1,2,3,6-テトラヒドロ-4-ピリジル]-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン4‐(4,4,5,5‐テトラメチル‐1,3,2‐ジオキサボロラン‐2‐イル)‐1,2,3,6‐テトラヒドロピリジン‐1‐カルボン酸TERT‐ブチルN‐BOC‐4‐(4,4,5,5‐テトラメチル‐[1,3,2]ジオキサボロラン‐2‐イル)‐3,6‐ジヒドロ‐2H‐ピリジン1-BOC-1,2,3,6-テトラヒドロ-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ピリジンN-BOC-1,2,3,6-テトラヒドロピリジン-4-ボロン酸ピナコールエステルN-BOC-1,2,5,6-テトラヒドロキシピリジン-4-ボロン酸ピナコールエステル2-[1-(tert-ブトキシカルボニル)-1,2,3,6-テトラヒドロピリジン-4-イル]-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-5,6-ジヒドロピリジン-1(2H)-カルボン酸tert-ブチルtert-ブチル 4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1,2,3,6-テトラヒドロピリジン-1-カルボキシラートＮ-Boc-3,6-ジヒドロ-2Ｈ-ピリジン-4-ボロン酸ピナコールエステルＮ-Boc-4-(4,4,5,5-テトラメチル-[1,3,2]ジオキサボロラン-2-イル)-3,6-ジヒドロ-2Ｈ-ピリジン1-Boc-3,6-Dihydro-2H-pyridine-4-boronic acid pinacol ester3,6-DIHYDRO-2H-PYRIDINE-1-TERT-BUTOXYCARBONYL-4-BORONIC ACID, PINACOL ESTEREOS-607943,6-DIHYDRPyridineC5H5N

1-Boc-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID PINACOL ESTERTERT-BUTYL 5,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-1(2H)-CARBOXYLATE1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID, PINACOL ESTER1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER1-N-Boc-4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

データベース識別子

CAS: 286961-14-6
PubChem CID: 4642098
DTXSID: DTXSID60405158
EC Number: 689-148-0
Nikkaji: J1.315.440F

物性

構造計算による物性

極性表面積: 48 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 22
形式電荷: 0
複雑度: 463

物理化学的性質

融点: 114 to · 114.0 to 118.0 °C
沸点: 348 · 348.0±52.0 °C(Predicted)
比重(密度): 1.05 · 1.05±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform (Sparingly), Dichloromethane (Sparingly), DMSO (Slightly)
酸解離定数(Pka): -1.21 · -1.21±0.40(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: ほとんどの有機溶媒に可溶。水に不溶。
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
SMILES: C1N(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1

化学的性質

化学的特性off-white powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 8.1% (3 of 37) of reports.

Warning

H315 (89.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (89.2%)

安全データ

wgk: 3
tsca: No
PRTR法: 第一種指定化学物質
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37-60
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途医藥中間体

使用Reagent used for suzuki-Miyaura cross-coupling using palladium phosphine catalyst, palladium-catalyzed ligand-controlled regioselective Suzuki coupling, wrenchnolol derivative optimized for gene activation in cells. Also used in Preparation of several enzymatic inhibitors and receptor ligands, orally active anaplastic lymphoma kinase inhibitors and oxazolecarboxamides as diacylglycerol acyltransferase-1 inhibitors for treatment of obesity and diabetes.

使用N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is an intermediate for organic synthesis and pharmaceutical research and development, and can be used for suzuki reaction.