CAS: 91103-47-8; Boc-D-Ala-Ome

该化合物是一种化学化合物,其结构特征是其结构,包括D-alaine氨基组的三丁基氧碳酸(Boc)保护组,以及碳酸胆碱酸的甲基酯功能组.该化合物通常用于浸泡物合成,并作为有机合成的中间体,因为它能够保护氨基组,同时允许对碳酸酯作出进一步反应.它是白色到白的固态,在甲醇和二氯甲烷等有机溶剂中溶解,但水中溶解程度较低.Boc组的存在提供了稳定性和易处理,而甲基酯可被水解以产生D-alaine.该化合物经常用于研制药物和生物活性分子,使其在药用化学中具有重要性.应当与许多化学物质一起观察适当的处理和储存条件,以确保安全并保持其完整性.

英文名称Boc-D-Ala-Ome
中文名称(R)-2-((叔丁氧基羰基)氨基)丙酸甲酯
IUPAC名称methyl (tert-butoxycarbonyl)-D-alaninate
其它别名Boc-D-丙氨酸甲酯; Methyl N-(Tert-Butoxycarbonyl)-D-Alaninate
CAS编号91103-47-8
MFCD编号:MFCD00191865
分子式:C9H17NO4
分子量:203.24
产品CID: 1945772
产品分类有机原料→分子砌块→脂肪链类化合物

相似结构搜索
InChIKey: GJDICGOCZGRDFM-ZCFIWIBFSA-N
InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

相似化合物

13515-97-4 14316-06-4 2491-20-5

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
UN编号NONH for all modes of transport
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
WGK Germany3

上下游产品

合成工艺路线路线简述

24424-99-5 + 338-69-2 = 91103-47-8
反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 0 °C; Overnight,0 °C -> Rt1.2 Reagents: Triethylamine Solvents: Methanol,Dichloromethane; Rt -> 0 °C; 0 °C -> Rt; Overnight,Rt
标题:Exploration Of Allosteric Agonism Structure-Activity Relationships Within An Acetylene Series Of Metabotropic Glutamate Receptor 5 (Mglu5) Positive Allosteric Modulators (Pams): Discovery Of 5((3-Fluorophenyl)Ethynyl)N(3-Methyloxetan-3-Yl)Picolinamide (Ml254)
作者:Turlington,Mark; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(20) 页码:7976-7996]

24424-99-5 + 21705-13-5 = 91103-47-8
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 3 - 4 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
标题:A Bronsted Acidic Deep Eutectic Solvent For N-Boc Deprotection
作者:Procopio,Debora; Et Al
参考文献:Catalysts 日期:2022 卷标:12(11)]

112392-66-2 = 91103-47-8 + 15761-38-3
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Water; 10 H,Ph 8,35 °C
标题:Biocatalytic Resolution Of Boc-Dl-Alanine Methyl Ester By A Newly Isolated Bacillus Amyloliquefaciens Wzz002
作者:Zheng,Jian-Yong; Et Al
参考文献:Catalysis Communications 日期:2015 卷标:60 页码:134-137]

7764-95-6 + 18107-18-1 = 91103-47-8
反应条件:1.1 Solvents: Diethyl Ether,Methanol,Benzene; Rt; 1 H,Rt
标题:Design,Synthesis And Anticancer Mechanistic Studies Of Linked Azoles
作者:Islam,Amirul Md.; Et Al
参考文献:Medchemcomm 日期:2015 卷标:6(2) 页码:300-305]

24424-99-5 + 204126-98-7 = 91103-47-8
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Methanol
标题:Enantiodivergent Approach To D- And L-Secondary N-Hydroxy-α-Amino Acids By Using N-Benzyl-2,3-O-Isopropylidene-D-Glyceraldehyde Nitrone As An Effective N-Hydroxyglycine Cation Equivalent
作者:Merino,Pedro; Et Al
参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(7) 页码:2371-2374]

= 91103-47-8
反应条件:1.1 Reagents: Periodic Acid Solvents: Diethyl Ether1.2 Reagents: Monosodium Phosphate,Hydrogen Peroxide Catalysts: Sodium Chlorite Solvents: Acetonitrile,Water2.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Methanol
标题:Enantiodivergent Approach To D- And L-Secondary N-Hydroxy-α-Amino Acids By Using N-Benzyl-2,3-O-Isopropylidene-D-Glyceraldehyde Nitrone As An Effective N-Hydroxyglycine Cation Equivalent
作者:Merino,Pedro; Et Al
参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(7) 页码:2371-2374]

139928-91-9 = 91103-47-8
反应条件:1.1 Reagents: Magnesium Solvents: Methanol
标题:Mild,Efficient Cleavage Of Arenesulfonamides By Magnesium Reduction
作者:Nyasse,Barthelemy; Et Al
参考文献:Chemical Communications (Cambridge) 日期:1997 卷标:(11) 页码:1017-1018

2-叔丁氧羰基氨基丙烯酸甲酯置于bis(1,5-Cyclooctadiene)Rhodium(I) Tetrafluoroborate,Monophos(Tm),氢气体系中,用二氯甲烷作为反应溶剂,20.0 °C,500.0 Kpa 条件下,反应 0.25H,反应生成 Boc-D-丙氨酸甲酯
参考文献:单齿亚磷酰胺配体对n-甲酰基脱氢氨基酯的对映选择性rh催化加氢
标题:单齿亚磷酰胺配体对n-甲酰基脱氢氨基酯的对映选择性rh催化加氢
摘要:使用单齿亚磷酰胺作为手性配体,在铑催化的n-甲酰基脱氢氨基酯的不对称加氢中,对映选择性达到> 99%ee .通过将异氰基乙酸甲酯与一定范围的醛和环己酮缩合来合成底物.开发了一种高度方便的多克规模的2-(甲酰胺基)丙烯酸甲酯一步合成方法.该化合物用于通过无溶剂的heck反应合成2-(甲酰胺基)肉桂酸甲酯.而且,在2-H(甲酰氨基)丙烯酸甲酯在0.2 Mol%的催化剂和2 Bar的氢气压力下加氢,在1小时内获得了完全转化率和> 99%ee.甲酰基保护剂的多功能性是通过在温和条件下将其除去而建立的.
DOI:10.1021/jo052451D

海关参考信息

2905122000-异丙醇
2905143000-叔丁醇
2912110000-甲醛
2912120000-乙醛
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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-2004110228-A1
优先权日:2002-04-01
标题:Combinatorial organic synthesis of unique biologically active compounds
发明人：MCALPINE SHELLI R; TAYLOR RACHEL E; BOLLA MEGAN L; SEGALL ANCA M
摘要:The invention provides a method for making a combinatorial library of cyclic compounds, such as Holliday junction-trapping compounds, comprising the steps of (a) obtaining a plurality of trimers according to the generic structure X 1- X 2- X 3 , wherein X 1 , X 2 and X 3 can be independently any naturally or nonnaturally occurring amino acids or peptidomimetics thereof; (b) optionally coupling a spacer S to the trimer at either end; (c) cyclizing two trimers or trimer-spacer conjugates in a head-to-tail orientation; thereby obtaining a combinatorial library of compounds, wherein the library does not include an unmodifed or naturally occurring Holliday Junction-trapping compounds. The invention additionally provides methods macrocyclic compounds that are synergimycin derivatives.