CAS: 949-69-9; 1-Benzylpiperidin-4-One Oxime

该化合物是一种有机化合物,其特点是与管状里酮结构相连的氧化物功能组;该化合物通常是一种固体或晶状物质,以其在药用化学中的潜在用途而著称,特别是在制药业中;该苯基甲基组的存在有助于其亲脂性,从而影响其生物活动和与各种生物目标的相互作用;该氧化物职能组的特点是氮原子存在双重的氧原子和氢氧基组的单体,可参与各种化学反应,包括涉及核素的反应;此外,该化合物可能由于管状菌环而表现出特定的立体化学特性,因为它会影响其药理学和药理动力学;总体而言,1-(苯基甲基甲基)-4-立管里得尼酮氧化物对研究其潜在治疗效应及其在合成有机化学中的作用很感兴趣.

英文名称1-Benzylpiperidin-4-One Oxime
中文名称N-(1-苄基哌啶-4-亚烷基)羟胺
IUPAC名称1-benzylpiperidin-4-one oxime
其它别名1-苄基-4-哌啶酮肟; 1-Benzylpiperidin-4-One Oxime
CAS编号949-69-9
MFCD编号:MFCD00277794
EINECS号:213-443-1
FDA UNII编号:UU9Z7MT83T
分子式:C12H16N2O
分子量:204.27
产品CID: 2002144
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: VIMRHNNRKUWOIZ-UHFFFAOYSA-N
InChI=1S/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数2.0

物理性质

熔点126-128 °C(溶剂: chloroform (67-66-3); ligroine (8032-32-4))
沸点338.5°C at 760 mmHg
闪点158.5±25.9 °C
密度1.1±0.1 g/cm3
pKa:12.14±0.20(预测)
PSA:35.83
LogP:2.1126
折射率1.582
蒸汽压0.0±0.8 mmHg at 25°C
外观形态白色至淡黄色固体
储存条件在惰性气体(氮气或氩气)下 2-8°C

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P210-P240-P264-P270-P280-P330-P370+P378-P405-P501
危险等级4.1
UN编号1325.0
包装等级Ⅱ

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

3612-20-2 = 949-69-9
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参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2013 卷标:23(14) 页码:4085-4090]

3612-20-2 = 949-69-9
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标题:Synthesis And Antimicrobial Studies Of Some New N- Benzyl Piperidin-4-One Derivatives
作者:Raja,K.; Umamatheswari,S.; Tharini,K.
参考文献:Pharmacia Sinica 日期:2016 卷标:7(2) 页码:41-44]

3612-20-2 = 949-69-9
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作者:Yin,Anqin; Xue,Sijia; Fang,Zhikun; Chen,Long; Xu,Yang
参考文献:Youji Huaxue 日期:2009 卷标:29(3) 页码:454-458]

3612-20-2 = 949-69-9
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作者:Yakukhnov,Sergey A.; Ananikov,Valentine P.
参考文献:Advanced Synthesis & Catalysis 日期:2019 卷标:361(20) 页码:4781-4789]

3612-20-2 = 949-69-9
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标题:Efficient Synthesis And Identification Of Novel Propane-1,3-Diamino Bridged Ccr5 Antagonists With Variation On The Basic Center Carrier
作者:Fan,Xing; Zhang,Hu-Shan; Chen,Li; Long,Ya-Qiu
参考文献:European Journal Of Medicinal Chemistry 日期:2010 卷标:45(7) 页码:2827-2840]

3612-20-2 = 949-69-9
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作者:Diez,Anna; Voldoire,Aline; Lopez,Isabel; Rubiralta,Mario; Segarra,Victor; Et Al
参考文献:Tetrahedron 日期:1995 卷标:51(17) 页码:5143-56]

3612-20-2 = 949-69-9
反应条件:1.1 Reagents: Hydroxyamine Hydrochloride Solvents: Water; 10 Min,Rt1.2 Reagents: Potassium Carbonate Solvents: Water; 30 Min,Rt
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作者:Diaz-Velandia,John; Duran-Diaz,Natalia; Robles-Camargo,Jorge; Loaiza,Alix Elena
参考文献:Universitas Scientiarum (Pontificia Universidad Javeriana 日期:2011 卷标:16(3) 页码:294-302]

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3612-20-2 = 949-69-9
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N-苄基哌啶酮置于吡啶,盐酸羟胺体系中,用乙醇作为反应溶剂,以99%的收率获得产物1-苄基-4-哌啶酮肟
参考文献:有效合成和鉴定新型丙烷-1,3-二氨基桥接的ccr5拮抗剂,其基本中心载体具有变异性
标题:有效合成和鉴定新型丙烷-1,3-二氨基桥接的ccr5拮抗剂,其基本中心载体具有变异性
摘要:通过采用基于药效团的设计和特权片段的重组,通过有效的聚合合成策略设计并合成了一系列哌啶-/-托帕烷-/哌嗪-桥连的ccr5拮抗剂,重点是基本中心载体结构的最佳选择.重要的是,4-氨基-4-甲基哌啶桥联的1-酰基-1,3-丙二胺化合物被确定为一类新型的纳摩尔ccr5拮抗剂,为有效开发ccr5抑制剂提供了有效的方法和新颖的支架.
DOI:10.1016/j.Ejmech.2010.03.003

海关参考信息

2902300000-甲苯
2921199090-其他无环单胺
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-9765027-B2
优先权日:2014-08-22
标题 :Substituted 1-arylethyl-4-acylaminopiperidine derivatives as opioid/alpha-adrenoreceptor modulators and method of their preparation
发明人：VARDANYAN RUBEN S; HRUBY VICTOR J
权利人:THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIV OF ARIZAONA; UNIV ARIZONA
摘要:The invention provides compounds that bind with high affinities to the Î¼-, Î´- and Îº-opioid receptors and Î± 2 -adrenoreceptor. In addition to providing these compounds with novel pharmacological binding properties, the invention also describes detailed novel methods for the preparation of representative compounds and a scheme for the synthesis of related compounds that bind to the opioid receptors and/or Î± 2 -adrenoreceptor.

专利号:WO-2024132278-A1
优先权日:2022-12-20
标题:Synthesis, pharmacology and use of new water-soluble and selective fms-like tyrosine kinase 3 (flt3) inhibitors
发明人：MAHBOOBI SAVOSH; WIRTH LUKAS; PONGARTZ HERWIG; SELLMER ANDREAS
权利人:UNIV REGENSBURG
摘要:The present application relates to compounds of formula (I) for inhibiting FLT3. The present application further relates to a composition, preferably pharmaceutical composition, comprising a compound or a pharmaceutically acceptable salt thereof and comprising a pharmaceutically acceptable excipient and/or carrier. The present application also relates to a compound or composition for use in medicine. The present application also relates to a compound or composition for use in a method of preventing or treating cancer, preferably blood cancer, more preferably leukemia, even more preferably acute myeloid leukemia (AML). Furthermore, the present application relates to a method of preparing a compound.

专利号:US-6245773-B1
优先权日:1996-05-16
标题:5-(heterocyclic alkyl)-6-aryl-dihydropyrimidines
发明人：WONG WAI C; LAGU BHARAT; NAGARATHNAM DHANAPALAN; MARZABADI MOHAMMAD R; GLUCHOWSKI CHARLES
权利人:SYNAPTIC PHARMA CORP
摘要:This invention is directed to dihydropyrimidine compounds of the following formula: n which are selective antagonists for human Î± 1A receptors. This invention is also related to uses of these compounds for lowering intraocular pressure, inhibiting cholesterol synthesis, relaxing lower urinary tract tissue, the treatment of benign prostatic hyperplasia, impotency, cardiac arrhythmia and for the treatment of any disease where antagonism of the Î± 1A receptor may be useful. The invention further provides a pharmaceutical composition comprising a therapeutically effective amount of the above-defined compounds and a pharmaceutically acceptable carrier.

专利号:EP-4389223-A1
优先权日:2022-12-20
标题 :Synthesis, pharmacology and use of new water-soluble and selective fms-like tyrosine kinase 3 (flt3) inhibitors