CAS: 80102-26-7; Boc-Phe(4-Me)-Oh

该化合物是氨基酸苯丙烯的衍生物,氨基氨基磺酸基碳酸(Boc)组受乙基-丁基氧碳基(BOC)组的保护,其特点是它组成了一个4-甲基苯基组,这增加了其疏水特性,并能够影响其在生物系统中的相互作用.Boc保护允许在peptide合成过程中有选择地反应,使它成为生产peptides和蛋白质的宝贵中间体.一般而言,它似乎是白到白的固体,溶于二甲基硫氧化物(DMSO)和乙醇等有机溶剂中,但水中溶解程度较低,其分子结构有助于其稳定性和再活动,使其在各种化学和制药应用中有用.与许多氨基硫衍生物一样,重要的是按照适当的安全规程处理Boc-L-4-M乙基苯丙胺,因为它可能有具体的处理和储存要求.

英文名称Boc-Phe(4-Me)-Oh
中文名称(S)-2-((叔丁氧基羰基)氨基)-3-(对甲苯基)丙酸
IUPAC名称(2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
其它别名(S)-2-((叔丁氧羰基)氨基)-3-(对甲苯基)丙酸; Boc-L-4-Methylphenylalanine
CAS编号80102-26-7
MFCD编号:MFCD01317027
EINECS号:849-042-9
分子式:C15H21NO4
分子量:279.33
产品CID: 1794986
产品分类有机原料→分子砌块→手性化合物→手性砌块

相似结构搜索
InChIKey: JYRWNPUFECDJCX-LBPRGKRZSA-N
1S/C15H21NO4/c1-10-5-7-11(8-6-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数4.0

相似化合物

80102-27-8 110762-12-4 199006-54-7

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
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
WGK Germany3

合成工艺路线路线简述

1991-87-3 + 24424-99-5 = 80102-26-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt1.2 Solvents: Tetrahydrofuran,Water; Cooled; 2 H,Ph 7.5 - 8.5,0 °C; 24 H,Ph 7.5 - 8.5,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
标题:A Study Of The N-Tert-Butoxycarbonylation Of Non-Natural Amino Acids
作者:Liu,Yi; Et Al
参考文献:Yaoxue Jinzhan 日期:2006 卷标:30(7) 页码:330-332]

1991-87-3 + 24424-99-5 = 80102-26-7
反应条件:1.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

= 80102-26-7
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 8,37 °C1.2 Catalysts: Subtilisin; 8 H,Ph 8,37 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

= 80102-26-7
反应条件:1.1 Solvents: Toluene; 5 H,110 °C2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C2.2 Reagents: Sodium Bicarbonate Solvents: Water3.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 7,38 °C3.2 Catalysts: Amidase; 24 H,Ph 7,38 °C4.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

104-81-4 + 1068-90-2 = 80102-26-7
反应条件:1.1 Reagents: Sodium Solvents: Ethanol; 30 H,110 °C1.2 5 H,110 °C2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C2.2 Reagents: Sodium Bicarbonate Solvents: Water3.1 Solvents: Toluene; 5 H,110 °C4.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C4.2 Reagents: Sodium Bicarbonate Solvents: Water5.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 7,38 °C5.2 Catalysts: Amidase; 24 H,Ph 7,38 °C6.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

= 80102-26-7
反应条件:1.1 Solvents: Toluene; 5 H,110 °C2.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 8,37 °C2.2 Catalysts: Subtilisin; 8 H,Ph 8,37 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

6955-13-1 = 80102-26-7
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 7,38 °C1.2 Catalysts: Amidase; 24 H,Ph 7,38 °C2.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

1119519-52-6 = 80102-26-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water2.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 7,38 °C2.2 Catalysts: Amidase; 24 H,Ph 7,38 °C3.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

= 80102-26-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water2.1 Solvents: Toluene; 5 H,110 °C3.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 8,37 °C3.2 Catalysts: Subtilisin; 8 H,Ph 8,37 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

104-81-4 + 102831-44-7 = 80102-26-7
反应条件:1.1 Reagents: Sodium Solvents: Ethanol; 30 H,110 °C1.2 5 H,110 °C2.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C2.2 Reagents: Sodium Bicarbonate Solvents: Water3.1 Solvents: Toluene; 5 H,110 °C4.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 8,37 °C4.2 Catalysts: Subtilisin; 8 H,Ph 8,37 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366]

82291-79-0 = 80102-26-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water2.1 Solvents: Toluene; 5 H,110 °C3.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 5 H,0 °C3.2 Reagents: Sodium Bicarbonate Solvents: Water4.1 Reagents: Ammonium Hydroxide Solvents: Dimethylformamide,Water; Ph 7,38 °C4.2 Catalysts: Amidase; 24 H,Ph 7,38 °C5.1 15 H,0 °C
标题:Synthesis And Resolution Of N-Boc-2-Methyl-L-Phenylalanine,N-Boc-3-Methyl-L-Phenylalanine And N-Boc-4-Methyl-L-Phenylalanine Isomers
作者:Li,Xiao-Hui; Et Al
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(7) 页码:1363-1366

海关参考信息

2902600000-乙苯
2905122000-异丙醇
2905143000-叔丁醇
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-8487108-B2
优先权日:2005-11-14
标题 :Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors
发明人：BALDWIN JOHN J; CLAREMON DAVID A; TICE COLIN; CACATIAN SALVACION; DILLARD LAWRENCE W; ISHCHENKO ALEXEY V; YUAN JING; XU ZHENRONG; MCGEEHAN GERARD; SIMPSON ROBERT D; SINGH SURESH B; ZHAO WEI; FLAHERTY PATRICK T
权利人:BALDWIN JOHN J; CLAREMON DAVID A; TICE COLIN; CACATIAN SALVACION; DILLARD LAWRENCE W; ISHCHENKO ALEXEY V; YUAN JING; XU ZHENRONG; MCGEEHAN GERARD; SIMPSON ROBERT D; SINGH SURESH B; ZHAO WEI; FLAHERTY PATRICK T; VITAE PHARMACEUTICALS INC
摘要:The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

专利号:WO-2023184731-A1
优先权日:2022-03-30
标题:Preparation method for 4- 10 boric acid-l-phenylalanine intermediate
发明人：TAO LULU; ZHU YIFAN; FAN MINHUA; HONG CHAO; DING YUANCHUN; GUO WEIGE; LU CUIJUN; ZHOU SHENGJUN
权利人:HAINAN POLY PHARM CO LTD; Zhejiang puli pharmaceutical co ltd; ANHUI PULI PHARMACEUTICAL CO LTD
摘要:The present invention relates to the technical field of boron-containing drugs for boron neutron capture therapy, and specifically to a preparation method for a 4- 10 boric acid-L-phenylalanine intermediate. The preparation method uses a compound of a structure of formula iii as a starting material to react with a boronizing reagent and a Grignard reagent to prepare the intermediate, wherein the boronizing reagent has a structure of formula (a): R 1 and R 2 are each independently an alkyl group and can be identical or different; or R 1 and R 2 can be cyclized with the oxygen atoms to which they are attached and the boron atom to form a 5- or 6-membered ring; R is an amino protecting group; X is a halogen. The 4- 10 boric acid-L-phenylalanine prepared by the method needs no purification: the HPLC content is greater than 98%, and the total yield of the product is greater than 80%, which completely meet the modern fine chemical synthesis requirements. The method can achieve the industrial production of 4- 10 boric acid-L-phenylalanine.

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合成参考文献

参考文献:10.1055/s-2008-1078192
摘要:Solid-Phase Conversion of Aromatic Acetylenes to Carbonyl Compounds. Synfacts. 2008 Sep 22;2008(10):1120. doi: 10.1055/s-2008-1078192.