CAS: 864825-23-0; (S)-1-(4-Phenyl-1H-Imidazol-2-yl)Ethanamine

英文名称(S)-1-(4-Phenyl-1H-Imidazol-2-yl)Ethanamine
中文名称(S)-1-(5-苯基-1H-咪唑-2-基)乙胺
IUPAC名称(S)-1-(4-phenyl-1H-imidazol-2-yl)ethan-1-amine
其它别名(Alphas)-Alpha-甲基-4-苯基-1H-咪唑-2-甲胺; (Alphas)-Alpha-Methyl-4-Phenyl-1H-Imidazole-2-Methanamine
CAS编号864825-23-0
MFCD编号:MFCD11846157
EINECS号:809-885-5
分子式:C11H13N3
分子量:187.24
产品CID: 1867000
产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

相似结构搜索
InChIKey: XQFMQMXJXWTGON-QMMMGPOBSA-N
InChI=1S/C11H13N3/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H,13,14)/t8-/m0/s1…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

相似化合物

1245649-51-7 864825-21-8 1993394-57-2

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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

C&L通报

上下游产品

1-(4-苯基-1H-咪唑-2-yl)乙基氨基甲酸苄酯 Benzyl [(1S)-1-(4-Phenyl-1H-Imidazol-2-yl)Ethyl]Carbamate 864825-21-8

合成工艺路线路线简述

合成目标产物 (S)-1-(4-Phenyl-1H-Imidazol-2-yl)Ethanamine 主要起始原料 2-Aminoacetophenone Hydrochloride
51814-46-1 = 864825-23-0
反应条件:1.1 Reagents: Ammonium Acetate Solvents: Toluene; 105 - 110 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,45 - 50 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 10.5 - 12
标题:A Simple And One Step Commercially Cost Effective Process For Eluxadoline Intermediates
作者:Nageswararao,K.; Et Al
参考文献:Journal Of Chemical And Pharmaceutical Research 日期:2017 卷标:9(4) 页码:256-258]

1142-20-7 + 5468-37-1 = 864825-23-0
反应条件:1.1 Reagents: 4-Methylmorpholine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide,1-Hydroxybenzotriazole Solvents: Dichloromethane; Rt2.1 Reagents: Ammonium Acetate Solvents: Acetic Acid; 7 H,Reflux3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Rt
标题:Identification Of A Dual δ Or Antagonist/μ Or Agonist As A Potential Therapeutic For Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D)
作者:Breslin,Henry J.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(14) 页码:4869-4872]

864825-21-8 = 864825-23-0
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Rt
标题:Identification Of A Dual δ Or Antagonist/μ Or Agonist As A Potential Therapeutic For Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D)
作者:Breslin,Henry J.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(14) 页码:4869-4872]

15761-38-3 = 864825-23-0
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 10 - 15 Min,25 - 35 °C1.2 < 35 °C; 14 - 16 H,25 - 35 °C2.1 Reagents: Ammonium Acetate Solvents: Toluene; 105 - 110 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,45 - 50 °C2.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 10.5 - 12
标题:A Simple And One Step Commercially Cost Effective Process For Eluxadoline Intermediates
作者:Nageswararao,K.; Et Al
参考文献:Journal Of Chemical And Pharmaceutical Research 日期:2017 卷标:9(4) 页码:256-258]

864825-19-4 = 864825-23-0
反应条件:1.1 Reagents: Ammonium Acetate Solvents: Acetic Acid; 7 H,Reflux2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Rt
标题:Identification Of A Dual δ Or Antagonist/μ Or Agonist As A Potential Therapeutic For Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D)
作者:Breslin,Henry J.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(14) 页码:4869-4872

2-氨基苯乙酮盐酸盐置于n-甲基吗啉,Palladium 10% On Activated Carbon,Ammonium Acetate,氢气,1-羟基苯并三唑,溶剂黄146,盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺体系中,用甲醇,二氯甲烷作为反应溶剂,化学反应 7.0H,反应生成 (S)-1-(5-苯基-1H-咪唑-2-基)乙胺
参考文献:Identification Of A Dual δ Or Antagonist/μ Or Agonist As A Potential Therapeutic For Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D)
标题:Identification Of A Dual δ Or Antagonist/μ Or Agonist As A Potential Therapeutic For Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D)
摘要:A Small Set Of Acyclic Analogs 5 Were Prepared To Explore Their Structure-Activity Relationships (Sars) Relative To Heterocyclic Core,Opioid Receptor (Or) Agonists 4. Compound 5L Was Found To Have Very Favorable Or Binding Affinities At The δ And μ Ors (R K(I) δ=1.3 Nm; R K(I) μ=0.9 Nm; H K(I) μ=1.7 Nm),With Less Affinity For The K Or (Gp K(I) K=55 Nm). The Or Functional Profile For 5L Varied From The Previously Described Dual δ/μ Or Agonists 4,With 5L Being A Potent,Mixed Dual δ Or Antagonist/μ Or Agonist [δ Ic(50)=89 Nm (Hvd); μ Ec(50)=1 Nm (Gpi); K Ec(50)=1.6 μm (Gpc)]. Compound 5L Has Progressed Through A Clinical Phase Ii Proof Of Concept Study On 800 Patients Suffering From Diarrhea-Predominant Irritable Bowel Syndrome (Ibs-D). This Phase Ii Study Was Recently Completed Successfully,With 5L Demonstrating Statistically Significant Efficacy Over Placebo.
DOI:10.1016/j.Bmcl.2012.05.042

海关参考信息

2902200000-苯
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专利信息

专利号:US-10472329-B2
优先权日:2015-02-23
标题 :Process for the preparation of intermediates useful in the synthesis of Eluxadoline
发明人：LUTHRA PARVEN KUMAR; SINHA CHANDRASEKHAR; QUADRI SYED AZIZ IMAM; DAS TONMOY CHITTA
权利人:ALLERGAN HOLDINGS UNLIMITED COMPANY
摘要:The invention relates to an improved process for preparing [(S)-1-(4-phenyl-1-H-imidazol-2-yl)-ethyl]-amine. The process involves formation of the novel intermediate crystalline compound [(S)-1-(4-phenyl-1-H-imidazol-2-yl)-ethyl]-carbamic acid tert-butyl ester oxalate.

专利号:US-7629488-B2
优先权日:2005-03-14
标题 :Process for the preparation of opioid modulators
发明人：CAI CHAOZHONG; HE WEI
权利人:JANSSEN PHARMACEUTICA NV
摘要:The present invention is directed to novel processes for the preparation of opioid modulators (agonists and antagonists) and intermediates in their synthesis. The opioid modulators are useful for the treatment and prevention of as pain and gastrointestinal disorders.

专利号:US-2018029994-A1
优先权日:2015-02-23
标题 :Process for the preparation of intermediates useful in the synthesis of eluxadoline

专利号:EP-3262030-B1
优先权日:2015-02-23
标题:Process for the preparation of intermediates useful in the synthesis of eluxadoline

专利号:ES-2761821-T3
优先权日:2015-02-23
标题 :Process for the preparation of intermediates useful in the synthesis of eluxadoline