CAS: 34068-01-4; 1-(3-(Benzyloxy)Phenyl)Ethanone

该化合物是一种合成有机化合物,其特点是有附于丙酮核心的苯氧基组,这种芳香酮通常用作有机合成的中间体,特别是在制药,农用化学品和精细化学品方面,其结构特征,包括受苯基保护的苯丙基羟基苯基苯丙酮组,使它成为进一步功能化的多用途构件.该化合物在标准条件下具有稳定性,符合一系列反应条件,便于其在多步骤合成路线上使用.其定义明确的再活性和纯度使得它成为需要精确分子修改的研究和工业应用的可靠选择.

英文名称1-(3-(Benzyloxy)Phenyl)Ethanone
中文名称3'-苯甲氧基苯乙酮
IUPAC名称1-(3-(benzyloxy)phenyl)ethan-1-one
其它别名1-[3-(Benzyloxy)Phenyl]Ethanone; 1-(3-Benzyloxyphenyl)Ethanone; 1-(3-Phenylmethoxyphenyl)Ethanone; 3'Benzyloxyacetophenone; 3'-Benzyloxyacetophenone; 3-Benzyloxyacetophenone; Lysophosphatidylcholine(17:0); 3-Benzyloxy Acetophenone; Akos
CAS编号34068-01-4
MFCD编号:MFCD00026221
EINECS号:251-816-0
分子式:C15H14O2
分子量:226.28
产品CID: 1341482
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: FGQMEAWGAUALJQ-UHFFFAOYSA-N
InChI=1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数4.0

物理性质

熔点29-30 °C
沸点354°C at 760 mmHg
闪点155.9°C
密度1.1 g/cm3
PSA:26.3
LogP:3.4682
折射率1.569
蒸汽压3.44E-05 mmHg at 25 °C
溶解性Chloroform (Sparingly), Methanol (Slightly)
敏感性如果遵照规格使用和储存则不会分解，未有已知危险反应避免氧化物
外观形态淡黄色低熔点固体
储存条件密封, 常温干燥保存

MSDS等安全信息

GHS象形图
GHS符号GHS09;
注释: Environment
危险类别急性毒性类别4(经口)
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2A
水生急性毒性类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
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.
H400 |对水生生物毒性极大.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级9
UN编号3082.0
危险品标志Xi
包装等级Ⅲ
安全声明24/25

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

3-Hydroxyacetophenone benzyl chloride 5-(dimethylamino)naphth-1-ylsulfonyl chloride benzyl bromide ethyl 3-(3-benzyloxyphenyl)-3-oxopropanoate 5-[1-(3-benzyloxy-phenyl)-ethylidene]-2-thioxo-thiazolidin-4-one but-2-enoateethyl 3-3-(benzyloxy)phenylbut-2-enoate 2-(3-benzyloxyphenyl)-2-trimethylsilyloxypropanenitrile

合成工艺路线路线简述

3-苄氧基溴苯置于正丁基锂,Jones Reagent体系中,化学反应生成 3-苄氧基苯乙酮
参考文献:Design And Synthesis Of Oxadiazolidinediones As Inhibitors Of Plasminogen Activator Inhibitor-1
标题:Design And Synthesis Of Oxadiazolidinediones As Inhibitors Of Plasminogen Activator Inhibitor-1
摘要:A Novel Series Of Pai-1 Inhibitors Containing An Oxadiazolidinedione Moiety Were Identified By High Through-Put Screening. Optimization Of Substituents By Parallel Synthesis And The Iterative Design Toward Understanding Structure-Activity Relationship To Improve Potency Are Described. (C) 2004 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2004.04.058

海关参考信息

2902600000-乙苯
2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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-6005103-A
优先权日:1993-11-19
标题 :Pyrone derivatives as protease inhibitors and antiviral agents
发明人：DOMAGALA JOHN MICHAEL; LUNNEY ELIZABETH; PARA KIMBERLY SUZANNE; PRASAD JOSYULA VENKATA NAGENDR; TAIT BRADLEY DEAN
权利人:WARNER LAMBERT CO
摘要:The present invention relates to novel tri- and tetrasubstituted pyrones and related structures which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The pyrone derivatives are useful in the development of therapies for the treatment of bacterial and viral infections and diseases, including AIDS. The present invention is also directed to methods of synthesis of multifunctionalized pyrones and of related structures.

专利号:EP-0729465-B1
优先权日:1993-11-19
标题:Pyrone derivatives as protease inhibitors and antiviral agents
发明人：DOMAGALA JOHN MICHAEL; LUNNEY ELIZABETH; PARA KIMBERLY SUZANNE; PRASAD JOSYULA VENKATA NAGENDR; TAIT BRADLEY DEAN
权利人:PARKE DAVIS & CO
摘要:The present invention relates to novel tri- and tetrasubstituted pyrones and related structures which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The pyrone derivatives are useful in the development of therapies for the treatment of bacterial and viral infections and diseases, including AIDS. The present invention is also directed to methods of synthesis of multifunctionalized pyrones and of related structures.