CAS: 3082-62-0; (S)-1-(Naphthalen-2-yl)Ethanamine

该化合物是一种带有氯化萘骨干,通常用作有机合成和制药应用的多用途中间体的手性诱导剂,其立体特性(S)配置对非对称合成,特别是对应纯化合物的准备具有价值.氯化萘会增强芳香相互作用,有助于其在悬浮设计和催化方面的用途.该化合物在标准条件下表现出稳定性,并表明与一系列反应条件相容,包括再粉化和解析技术.其高纯度和明确界定的性能使其适合医学化学和材料科学的研究,在这些方面,精确的立体化学控制至关重要.

英文名称(S)-1-(Naphthalen-2-yl)Ethanamine
中文名称(S)-(-)-1-(2-萘基)乙胺
IUPAC名称(S)-1-(naphthalen-2-yl)ethan-1-amine
其它别名(S)-1-(2-萘基)乙胺; (S)-2-(1-Aminoethyl)Naphthalene
CAS编号3082-62-0
MFCD编号:MFCD00085366
EINECS号:608-543-0
分子式:C12H13N
分子量:171.24
产品CID: 1295604
产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

相似结构搜索
产品信息参考;;;;
InChIKey: KHSYYLCXQKCYQX-VIFPVBQESA-N
KHSYYLCXQKCYQX-VIFPVBQESA-N…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

相似化合物

3906-16-9 1201-74-7 10420-89-0

物理性质

熔点47-50°C
沸点301°C at 760 mmHg
闪点144.3±11.5 °C
密度1.1±0.1 g/cm3
PH:-21 º (C=1%, IN MEOH)
pKa:9.36±0.40(预测)
PSA:26.02
LogP:2.8595
旋光度-21º(C=1,INMEOH)
折射率1.630
蒸汽压0.0±0.6 mmHg at 25°C
溶解性Insoluble In Water.
敏感性空气敏感
外观形态白色至淡黄色粉末至晶体
储存条件请置于阴暗处, 惰性气氛中,室温
产品应用该化合物用于使用手动安咪作为STREECKER和硝基-MICHAEL反应的双功能催化剂的硫尿亚化合物的制造.此外,它起到手动建筑块和手动分辨率试剂的作用.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P391-P405-P501
危险等级9
UN编号3077.0
危险品标志Xi,N
包装等级Ⅲ
安全声明26-36-61
危险类别码36/37/38-51/53
WGK Germany3

欧盟法规

C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 (S)-(-)-1-(2-Naphthyl)Ethylamine 主要起始原料 (R)-(+)-Alpha-Methyl-2-Naphthalenemethanol
(文献来源)合成步骤主要原料 (R)-(+)-Alpha-Methyl-2-Naphthalenemethanol

2-萘乙酮置于l-丙氨酸,Amine Transaminase 3Hmu体系中,用99%的收率获得
参考文献:将未开发的蛋白质晶体结构连接到酶功能上
标题:将未开发的蛋白质晶体结构连接到酶功能上
摘要:在数据库中进行挖掘:通过评估一组八个氨基供体和七个受体,研究了四个未知功能的合成有用的转氨酶(见图).四种酶的催化特性和底物偏好存在很大差异.我们还在一系列手性胺的不对称合成中使用了这些酶,并观测到出色的对映选择性和转化率.
Doi:10.1002/cctc.201200544

海关参考信息

2902600000-乙苯
2902902000-精萘
💡 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-7452994-B2
优先权日:2001-09-12
标题 :Synthesis of enantiomerically pure amino-substituted fused bicyclic rings
发明人：MCEACHERN ERNEST J; BRIDGER GARY J; SKUPINSKA KRYSTYNA A; SKERLJ RENATO T; YANG WEN
权利人:ANORMED INC
摘要:This invention describes various processes for synthesis and resolution of racemic amino-substituted fused bicyclic ring systems. One process utilizes selective hydrogenation of an amino-substituted fused bicyclic aromatic ring system. An alternative process prepares the racemic amino-substituted fused bicyclic ring system via nitrosation. In addition, the present invention describes the enzymatic resolution of a racemic mixture to produce the (R)- and (S)-forms of amino-substituted fused bicyclic rings as well as a racemization process to recycle the unpreferred enantioner. Further provided by this invention is an asymmetric synthesis of the (R)- or (S)-enantiomer of primary amino-substituted fused bicyclic ring systems.

专利号:US-8084630-B2
优先权日:2007-05-31
标题 :Process for the synthesis of ramelteon and its intermediates
发明人：KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; RAFILOVICH MICHAL; MOHA-LERMAN ELENA BEN; LIFSHITZ-LIRON REVITAL
权利人:KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; RAFILOVICH MICHAL; MOHA-LERMAN ELENA BEN; LIFSHITZ-LIRON REVITAL; TEVA PHARMA
摘要:The present invention provides processes and intermediates for the synthesis of ramelteon.

专利号:US-2009281176-A1
优先权日:2007-11-01
标题:Process for the synthesis of ramelteon and its intermediates
发明人：KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; PATEL RAKESH; JADAV ARPAN M
权利人:KANSAL VINOD KUMAR; MISTRY DHIRENKUMAR N; VASOYA SANJAY L; PATEL RAKESH; JADAV ARPAN M
摘要:A process for the preparation of ramelteon and intermediates useful in the process. The process suitable for industrial scale provides increased yield and/or greater purity with fewer process steps.

专利号:US-9938282-B2
优先权日:2014-02-05
标题:Expedient synthesis of sitagliptin
发明人：JANAGANI SATYANARAYANA; THADURI VENKATESHWAR KUMAR; VAMARAJU RAVISANKAR
权利人:STEREOKEM INC
摘要:Novel intermediates are disclosed as intermediates for preparation of a Sitagliptin. A novel synthetic method to prepare Sitagliptin using the said intermediates is also disclosed.

专利号:US-2003114679-A1
优先权日:2001-09-12
标题:Synthesis of enantiomerically pure amino-substituted fused bicyclic rings

专利号:US-2005080267-A1
优先权日:2001-09-12
标题:Synthesis of enantiomerically pure amino-substituted fused bicyclic rings