tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate | CAS No. 1118767-15-9

tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate

Basic Information

CAS Number

1118767-15-9

Molecular Formula

C47H82N4O15

Molecular Weight

943.17 g/mol

AD

Basic Physical Properties

O(C(C)(C)C)C(CCCCCCCCCCCCCCCCC(N[C@H](C(=O)OC(C)(C)C)CCC(NCCOCCOCC(NCCOCCOCC(=O)ON1C(CCC1=O)=O)=O)=O)=O)=O

InChI

1S/C47H82N4O15/c1-46(2,3)64-43(57)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-39(53)50-37(45(59)65-47(4,5)6)23-24-38(52)48-27-29-60-31-33-62-35-40(54)49-28-30-61-32-34-63-36-44(58)66-51-41(55)25-26-42(51)56/h37H,7-36H2,1-6H3,(H,48,52)(H,49,54)(H,50,53)/t37-/m0/s1

InChIKey

ZYJILBKLUVJVKQ-QNGWXLTQSA-N

LogP

5.082400000000012

Topological Polar Surface Area

240.49999999999997 Ų

Hydrogen Bond Donor/Acceptor

3 / 19

Complexity

1430

Synonyms & References

English

  • Semaglutide Side Chain
  • ZB0996
  • 17-((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxopyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]-ethylcarbamoyl}propylcarbamoyl)heptadecanoic acid tert-butyl ester
  • AT25432
  • (S)-21,39-di-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 9,18,23-trioxo-2,5,11,14-tetraoxa-8,17,22-triaz
  • (S)-21,39-di-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 9,18,23-trioxo-2,5,11,14-tetraoxa-8,17,22-triazanonatriacontane-1,21,39-tricarboxylate
  • tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate

MDL Number

MFCD32661370

FAQ

What are the physical and chemical properties of tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate (CAS: 1118767-15-9)?

This compound is a crystalline solid with a high molecular weight. It has low water solubility but good solubility in organic solvents like methanol and acetone. It is highly reactive due to its complex structure, particularly the presence of ester, amide, and ether functionalities. The compound is stable under normal conditions but should be stored at room temperature away from moisture and heat.

How is tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate (CAS: 1118767-15-9) typically synthesized?

This compound is synthesized through a multi-step process involving the formation of esters, amides, and ethers. Commonly, it is synthesized using techniques like multistep peptide synthesis or condensation reactions. The exact synthesis protocol involves the use of various catalysts and reagents, yielding the compound with high selectivity and good yield. Detailed protocols are available in literature and can be found in research articles.

What industries use tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate (CAS: 1118767-15-9)?

This complex compound is used in the pharmaceutical industry for synthesizing high-value peptides and in the polymer industry for creating novel biodegradable polymers. It is also explored in the semiconductor industry for use in sensor applications due to its unique chemical properties. The compound's ability to form stable esters and amides makes it suitable for a variety of industrial applications.

What precautions should be taken when handling tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate (CAS: 1118767-15-9)?

When handling this compound, it is crucial to佩戴头罩以防止吸入蒸汽。使用个人防护装备,如耐化学腐蚀的手套和实验室外套。确保在通风橱内进行操作。如果发生泄漏,立即用大量水冲洗并通知专业人员处理。查阅安全数据表(SDS)获取详细的安全和处理信息。

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