4-叔丁氧羰基氨基哌啶 (HCID 723833)

名称与标识

首选名称: 4-(N-Boc-amino)piperidine
IUPAC: tert-butyl N-piperidin-4-ylcarbamate
中文名: 4-叔丁氧羰基氨基哌啶
英文名: 4-N-BOC-Aminopiperidine
分子式: C10H20N2O2
分子量: 200.28

名称与别名

4-(N-Boc-amino)piperidine4-(tert-Butoxycarbonylamino)piperidineRefChem:516494616-026-673874-95-04-Boc-aminopiperidinetert-butyl piperidin-4-ylcarbamate4-N-Boc-Aminopiperidine4-(Boc-amino)piperidinetert-butyl N-(piperidin-4-yl)carbamatetert-butyl N-piperidin-4-ylcarbamateMFCD00798171

展开更多名称

BOC-氨基哌啶普鲁卡因杂质37普卡必利杂质37普卡必利杂质46普卢卡必利杂质374-BOC-氨哌啶普芦卡必利杂质464-叔丁氧羰基氨基哌4-BOC-氨基哌啶4-B0C-氨基哌啶tert-Butyl N-(4-piperidyl)carbaMatePrucapride 11BUTTPARK 90\06-014-N-BOC-AMinopiperid

4-n-boc-amino-piperidineBoc-4-aminopiperidine4-(boc-amino)-piperidinepiperidin-4-yl-carbamic acid tert-butyl ester4-(n-tert-butoxycarbonylamino)piperidinet-butyl piperidin-4-ylcarbamatePiperidin-4-ylcarbamic acid tert-butyl estertert-butylpiperidine-4-ylcarbamate

数据库标识

CAS: 73874-95-0
PubChem CID: 723833
DTXSID: DTXSID20352356
UNII: EZ7Q6EE99Q
EC Number: 616-026-6
Nikkaji: J1.522.015E

性质

结构计算性质

XLogP: 1.1
极性表面积: 50.4 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 193

物理化学性质

熔点: 162 · 162-166 °C(lit.)
沸点: 80 °C/0.05mm · 80°C/0.05mm
密度: 1.02 · 1.02±0.1 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: soluble in Methanol
形态: Crystalline Powder
酸度系数(pKa): 12.39 · 12.39±0.20(Predicted)
颜色: Off-white
敏感性: Air Sensitive
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey: CKXZPVPIDOJLLM-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CCNCC1
CAS 数据库: 73874 · 73874-95-0(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)；Eye Irrit. 2 (96.4%)；STOT SE 3 (94.5%)

安全数据

wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 26-36-37/39
海关编码: 29339900
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38

化学与工业

应用领域 · 3 条

用途4-叔丁氧羰基氨基哌啶是合成各种药物和生物活性化合物的中间体，包括抑制剂和治疗剂。用于二苯嘌呤衍生物的合成，作为外周选择性大麻素受体1拮抗剂。

应用4-叔丁氧羰基氨基哌啶是合成各种药物和生物活性化合物（包括抑制剂和治疗剂）的中间体。它用于合成二苯基嘌呤衍生物，作为外围选择性大麻素受体1拮抗剂。

用途用作医药中间体

制备方法 · 1 条

生产方法以(1-苄基哌啶-4-基)氨基甲酸叔丁酯为原料合成4-叔丁氧羰基氨基哌啶的一般步骤：将N-丁基-1-苄基哌啶-4-基氨基甲酸酯（3.80 g，13.1 mmol）溶于26 mL甲醇中，置于100 mL反应容器内。加入催化量的10%钯/碳（Pd/C）。在氢气氛围下搅拌反应12小时。反应完成后，通过硅藻土垫过滤除去钯/碳催化剂，滤液在减压下浓缩除去溶剂。所得残余物通过硅胶柱色谱纯化，得到4-叔丁氧羰基氨基哌啶（2.64 g，产率99%）。产物经1H-NMR（200 MHz, CD3OD）确认：δ 1.36 (s, 9H), 1.84-2.36 (m, 4H), 2.74 (m, 2H), 3.42 (m, 2H), 3.60 (br, 1H)。LC/MS分析显示[M+H]+峰为201。参考文献：[1] Patent: WO2008/54154, 2008, A1. Location in patent: Page/Page column 33; 34; 76; 77; 162-164[2] Patent: WO2007/52938, 2007, A1. Location in patent: Page/Page column 18[3] Journal of Medicinal Chemistry, 1999, vol. 42, # 14, p. 2706 - 2715[4] Patent: WO2007/46550, 2007, A1. Location in patent: Page/Page column 117[5] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 24, p. 5345 - 5352

上下游产品信息

上游原料

N,N'-羰基二咪唑水合肼丙酮二碳酸二叔丁酯碳酸钾 2,3-二氯-5,8-二羟基-1,4-萘醌三氯甲烷钯碳亚硝酸钠 4-哌啶甲酸甲酯溴化苄乙酸乙酯

试剂价格

HY-40002 · 5 g: 4-叔丁氧羰基氨基哌啶4-Boc-Aminopiperidine — 100元
HY-40002 · 10 mM * 1 mLin DMSO: 4-叔丁氧羰基氨基哌啶4-Boc-Aminopiperidine — 110元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

关联笔记

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4-叔丁氧羰基氨基哌啶

基本信息