CAS: 79069-15-1; Tert-Butyl (S)-(1-(Benzyloxy)-3-Hydroxypropan-2-yl)Carbamate

化学文摘社编号为79069-15-1,能够将其识别在化学数据库中,便利医药化学和相关领域的研究和开发.适当的处理和储存与许多有机化合物一样,对于确保安全和保持其完整性至关重要.

英文名称Tert-Butyl (S)-(1-(Benzyloxy)-3-Hydroxypropan-2-yl)Carbamate
中文名称(S)-(-)-2-(Boc-氨基)-3-苄氧基-1-丙醇
IUPAC名称tert-butyl (S)-(1-(benzyloxy)-3-hydroxypropan-2-yl)carbamate
其它别名Boc-Serinol(Bzl); N-(Tert-Butyloxycarbonyl)-O-Benzyl-D-Serinol; Tert-Butyl N-[(2S)-1-(Benzyloxy)-3-Hydroxypropan-2-Yl]Carbamate; Tert-Butyl [(2S)-1-(Benzyloxy)-3-Hydroxypropan-2-Yl]Carbamate; Tert-Butyl N-[(2S
CAS编号79069-15-1
MFCD编号:MFCD00235945
分子式:C15H23NO4
分子量:281.35
产品CID: 1784654
产品分类生物化工 → 氨基酸及其衍生物 → BOC→氨基酸

相似结构搜索
InChIKey: MSIDLARYVJJEQY-ZDUSSCGKSA-N
InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m0/s1…
计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数8.0

物理性质

熔点66-69 °C
沸点443.1±40.0 °C at 760 mmHg
闪点221.8±27.3 °C
密度1.1±0.1 g/cm3
PH:-14 º (c=1 in chloroform)
pKa:11.58±0.46(预测)
PSA:67.79
LogP:3.1
旋光度-14º(C=1INCHLOROFORM)
折射率1.516
蒸汽压0.0±1.1 mmHg at 25°C
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态粉末
储存条件惰性气氛,2-8°C

上下游产品

合成工艺路线路线简述

235744-90-8 = 79069-15-1
反应条件:1.1 Reagents: Iodine Solvents: Methanol
标题:A Simple And Convenient Method For The Deprotection Of Tetrahydropyranyl Ether Using Iodine In Methanol
作者:Ramasamy,Kanda S.; Bandaru,Rajanikanth; Averett,Devron
参考文献:Synthetic Communications 日期:1999 卷标:29(16) 页码:2881-2894]

80963-10-6 = 79069-15-1
反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol,Tetrahydrofuran1.2 Reagents: Water
标题:Iterative Synthesis Of Stereo- And Sequence-Defined Polymers Via Acid-Orthogonal Deprotection Chemistry
作者:He,Wenjing; Wang,Shixue; Li,Maosheng; Wang,Xianhong; Tao,Youhua
参考文献:Angewandte Chemie 日期:2022 卷标:61(9)]

47173-80-8 = 79069-15-1
反应条件:1.1 Reagents: (T-4)-Trihydro(Tetrahydrofuran)Boron Solvents: Tetrahydrofuran; 3 H,0 °C
标题:Synthesis Of Enantiomerically Pure 3-Substituted Piperazine-2-Acetic Acid Esters As Intermediates For Library Production
作者:Reddy Guduru,Shiva Krishna; Chamakuri,Srinivas; Raji,Idris O.; Mackenzie,Kevin R.; Santini,Conrad; Et Al
参考文献:Journal Of Organic Chemistry 日期:2018 卷标:83(19) 页码:11777-11793]

47173-80-8 = 79069-15-1
反应条件:1.1 Reagents: 4-Methylmorpholine,Isobutyl Chloroformate Solvents: 1,2-Dimethoxyethane1.2 Reagents: Sodium Borohydride Solvents: Water
标题:A Multi-Faceted Secondary Structure Mimic Based On Piperidine-Piperidinones
作者:Xin,Dongyue; Perez,Lisa M.; Ioerger,Thomas R.; Burgess,Kevin
参考文献:Angewandte Chemie 日期:2014 卷标:53(14) 页码:3594-3598]

23680-31-1 = 79069-15-1
反应条件:1.1 Reagents: (T-4)-Trihydro(Tetrahydrofuran)Boron Solvents: Tetrahydrofuran1.2 Reagents: Sodium Chloride,Water Solvents: Water
标题:Conversion Of Chiral Amino Acids To Enantiomerically Pure α-Methyl Amines
作者:Donner,B. G.
参考文献:Tetrahedron Letters 日期:1995 卷标:36(8) 页码:1223-6]

23680-31-1 = 79069-15-1
反应条件:1.1 Reagents: Isobutyl Chloroformate,Diisopropylethylamine Solvents: 1,2-Dimethoxyethane; 10 Min,Rt1.2 Reagents: Sodium Borohydride Solvents: Methanol,1,2-Dimethoxyethane; 0 °C; 20 Min,0 °C1.3 Reagents: Ammonium Chloride Solvents: Water; 0 °C
标题:Syn-Selective Dihydroxylation Of γ-Amino-α,β-Unsaturated (Z)-Esters From D-Serine: Stereoselective Synthesis Of D-Iminolyxitol
作者:Jeon,Jongho; Lee,Jong Hyup; Kim,Jung-Won; Kim,Young Gyu
参考文献:Tetrahedron: Asymmetry 日期:2007 卷标:18(20) 页码:2448-2453]

1339950-10-5 = 79069-15-1
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 0 °C; 0 °C -> Rt; 4 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C
标题:A Stereoselective Route To Cis-(2S,3R)-3-Hydroxypipecolic Acid And Two Enantiomeric Cis-2-Hydroxymethyl-3-Hydroxypiperidine Derivatives
作者:Chattopadhyay,Shital K.; Roy,Shankar P.; Saha,Tapan
参考文献:Synthesis 日期:2011 卷标:(16) 页码:2664-2670

Boc-L-丝氨酸甲酯置于锂硼氢,4-甲基苯磺酸吡啶,四丁基碘化铵,Sodium Hydride体系中,用四氢呋喃,乙醚,乙醇,二氯甲烷作为反应溶剂,化学反应生成 N-Boc-(S)-2-氨基-3-苄氧基-1-丙醇
参考文献:Facile Route To 3,5-Disubstituted Morpholines: Enantioselective Synthesis Of O-Protected Trans-3,5-Bis(Hydroxymethyl)Morpholines
标题:Facile Route To 3,5-Disubstituted Morpholines: Enantioselective Synthesis Of O-Protected Trans-3,5-Bis(Hydroxymethyl)Morpholines
摘要:Trans-3,5-Bis(Benzyl/tert-Butyldiphenylsilyloxymethyl)Morpholines,Promising Candidates For The C-2-Symmetric Class Of Chiral Reagents,Were Prepared With Excellent Optical Purity. A Key Step In The Synthesis Is The Coupling Of A Serinol Derivative With 2,3-O-Isopropylideneglycerol Triflate Or Its Equivalent. This Methodology Was Extended To The Synthesis Of Chiral Trans-3-(Benzyloxymethyl)-5-(Tert-Butyldiphenylsilyloxymethyl)Morpholine,A Potentially Useful Chiral Building Block.
DOI:10.1021/ol035998S

海关参考信息

2902300000-甲苯
2905122000-异丙醇
2905143000-叔丁醇
2905399001-1,3-丙二醇
💡 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-2021171437-A1
优先权日:2017-07-17
标题 :Peptide nucleic acid (pna) monomers with an orthogonally protected ester moiety and novel intermediates and methods related thereto
发明人：COULL JAMES M; GILDEA BRIAN D
权利人:VERA THERAPEUTICS INC
摘要:The present disclosure pertains to peptide nucleic acid (PNA) monomers and oligomers, as well as methods and compositions useful for the preparation of PNA monomer precursors (e.g. PNA Monomer Esters, Backbone Esters and Backbone Ester Acid Salts, as described below) that can be used to prepare PNA monomers wherein said PNA monomers can be used to prepare said PNA oligomers. In some embodiments, the disclosure features sulfonic acid salts of Backbone Ester compounds, which sulfonic acid salts generally tend to be crystalline and can be obtained in reasonably good yield, often without requiring any chromatographic purification of the reaction product of the Backbone Ester synthesis reaction. This disclosure also pertains to novel methods for the synthesis of said Backbone Ester compounds and novel methods for the formation of the related sulfonic acid salts. Exemplary ester groups include, but are not limited to, 2,2,2-trichloroethy-(TCE), 2,2,2-tribromoethyl-(TBE), 2-iodoethyl-groups (2-IE) and 2-bromoethyl-(2-BrE) as the ester group. These particular ester groups can be removed under conditions where both Boc and Fmoc protected amine groups are stable.

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合成参考文献

参考文献:10.1055/s-0030-1260120
摘要:Chattopadhyay S, Roy S, Saha T. A Stereoselective Route to cis-(2S,3R)-3-Hydroxypipecolic Acid and Two Enantiomeric cis-2-Hydroxymethyl-3-hydroxypiperidine Derivatives. Synthesis. 2011 Jul 14;2011(16):2664–70. doi: 10.1055/s-0030-1260120.
参考文献:10.1055/s-0031-1289767
摘要:Sutherland A, Cant A. Asymmetric Synthesis of Pipecolic Acid and Derivatives. Synthesis. 2012 May 25;44(13):1935–50. doi: 10.1055/s-0031-1289767.