CAS: 953780-78-4; (R)-3-Methylmorpholine Hydrochloride

该化合物是一种作为制药合成和不对称催化中关键中间体广泛使用的一种手性红外线衍生物,其立体特性(R)配置使其对生产对应纯化合物,特别是开发活性药物成分(APIs)具有价值.盐的形态增强了稳定性和溶性,便利了处理和储存.该化合物经常被用于核循环替代反应,再消毒以及复杂异性循环的建筑块.其僵硬的模光线环结构有助于控制合成途径的立体化学.高纯度等级可以满足严格的药物开发监管要求.该化合物的一贯性能和特性使它成为研究和工业应用的可靠选择.

英文名称(R)-3-Methylmorpholine Hydrochloride
中文名称(R)-3-甲基吗啉盐酸盐
IUPAC名称(R)-3-methylmorpholine hydrochloride
其它别名R-3-甲基吗啉盐酸盐(Cas号:953780-78-4); (3R)-3-Methylmorpholine,Hydrochloride
CAS编号953780-78-4
MFCD编号:MFCD18382515
EINECS号:805-297-8
分子式:C5H12ClNO
分子量:137.61
产品CID: 2006800
产品分类有机原料→分子砌块→脂肪杂环类化合物→吗啉类化合物

相似结构搜索
InChIKey: MSOCQCWIEBVSLF-NUBCRITNSA-N
InChI=1S/C5H11NO.ClH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m1./s1…
计算化学: 氢键受体数2.0氢键供体数1可旋转键数0

相似化合物

74572-04-6 350595-57-2 42185-06-8

物理性质

熔点125 °C
PSA:21.26
LogP:0.4165
外观形态白色至橙色至绿色粉末至晶体
储存条件在惰性气体(氮气或氩气)下 2-8°C
产品应用该化合物用于对新型2-(ALKYLLGRANPOLININ-4-YL)-6-(3-氟氟-4-HY)-米丁-4(3H)-ONES进行发现研究,作为口服活性GSK-3Β抑制阿尔茨海默氏病的物质

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2A
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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi

欧盟法规

C&L通报

上下游产品

CAS号74571-98-5 (3R)-4-Benzyl-3... | CAS号120800-86-4 (5R)-5-methyl-4...

合成工艺路线路线简述

合成目标产物 (R)-3-Methylmorpholine Hydrochloride 主要起始原料 Morpholine, 4-[(4-Methoxyphenyl)Methyl]-3-Methyl-, (3R)-
74571-98-5 = 953780-78-4
反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol,Water; Overnight,Rt
标题:Structure-Based Design Of Potent And Selective 3-Phosphoinositide-Dependent Kinase-1 (Pdk1) Inhibitors
作者:Medina,Jesus R.; Becker,Christopher J.; Blackledge,Charles W.; Duquenne,Celine; Feng,Yanhong; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(6) 页码:1871-1895]

1022093-98-6 = 953780-78-4
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate; 18 H,Rt
标题:Preparation Of 5-(1H-1,2,3-Triazol-4-Yl)-1H-Pyrazole Derivatives As Platelet Aggregation Inhibitors
参考文献:World Intellectual Property Organization]

= 953780-78-4
反应条件:1.1 Reagents: 1-Chloroethyl Chloroformate Solvents: 1,2-Dichloroethane; 6 H,80 °C1.2 Reagents: Methanol; 1 H,Reflux
标题:Discovery Of Novel 2-(Alkylmorpholin-4-Yl)-6-(3-Fluoropyridin-4-Yl)-Pyrimidin-4(3H)-Ones As Orally-Active Gsk-3β Inhibitors For Alzheimer'S Disease
作者:Fukunaga,Kenji; Sakai,Daiki; Watanabe,Kazutoshi; Nakayama,Kazuki; Kohara,Toshiyuki; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(5) 页码:1086-1091]

= 953780-78-4
反应条件:1.1 Reagents: 1-Chloroethyl Chloroformate Solvents: 1,2-Dichloroethane; 6 H,80 °C1.2 Reagents: Methanol Solvents: Methanol; 1 H,80 °C
标题:Preparation Of 2-(Cyclic Amino)Pyrimidone Derivatives As Tau Protein Kinase 1 (Tpk1) Inhibitors
参考文献:World Intellectual Property Organization]

74571-98-5 = 953780-78-4
反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol,Water; Overnight,Rt
标题:1,2-Dihydroindazolo[4,3-Bc][1,5]Benzoxazepines And Related Derivatives As Pdk1 Inhibitors And Their Preparation And Use For The Treatment Of Cancer
参考文献:World Intellectual Property Organization]

74571-98-5 = 953780-78-4
反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol,Water; Overnight,Rt
标题:Preparation Of 6-(4-Pyrimidinyl)-1H-Indazole Derivatives As Pdk1 Inhibitors
参考文献:World Intellectual Property Organization]

= 953780-78-4 [标题:Reaction Conditions
标题:Preparation Of Novel Peptides As Hepatitis C Virus Inhibitors
参考文献:World Intellectual Property Organization

(5R)-5-Methyl-4-(Phenylmethyl)-3-Morpholinone置于盐酸,Palladium 10% On Activated Carbon,氢气,红铝体系中,用甲醇,水,甲苯作为反应溶剂,化学反应生成 (R)-3-甲基吗啉盐酸盐
参考文献:Structure-Based Design Of Potent And Selective 3-Phosphoinositide-Dependent Kinase-1 (Pdk1) Inhibitors
标题:Structure-Based Design Of Potent And Selective 3-Phosphoinositide-Dependent Kinase-1 (Pdk1) Inhibitors
摘要:Phosphoinositide-Dependent Protein Kinase-1 (Pdk1) Is A Master Regulator Of The Agc Family Of Kinases And An Integral Component Of The Pi3K/akt/mtor Pathway. As This Pathway Is Among The Most Commonly Deregulated Across All Cancers,A Selective Inhibitor Of Pdki Might Have Utility As An Anticancer Agent. Herein We Describe Our Lead Optimization Of Compound 1 Toward Highly Potent And Selective Pdki Inhibitors Via A Structure-Based Design Strategy. The Most Potent And Selective Inhibitors Demonstrated Submicromolar Activity As Measured By Inhibition Of Phosphorylation Of Pdk1 Substrates As Well As Antiproliferative Activity Against A Subset Of Aml Cell Lines. In Addition,Reduction Of Phosphorylation Of Pdk1 Substrates Was Demonstrated In Vivo In Mice Bearing oc1-Aml2 Xenografts. These Observations Demonstrate The Utility Of These Molecules As Tools To Further Delineate The Biology Of Pdki And The Potential Pharmacological Uses Of A Pdk1 Inhibitor.
DOI:10.1021/jm101527U