Cas 253128-11-9,3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol

253128-11-9

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Basic information

Product Name: 3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol
Synonyms: 3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol
CAS NO:253128-11-9
Molecular Formula:
Molecular Weight: 1592.33
EINECS: N/A
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Chemical Properties

Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
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Density: N/A
Refractive Index: N/A
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: 3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol(CAS DataBase Reference)
NIST Chemistry Reference: 3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol(253128-11-9)
EPA Substance Registry System: 3-{(2S,5S)-5-[2-((2S,4R,6R)-6-{[(2S,3S,4R,5R)-3-[(1RS,2RS)-3-[(2R,4aS,6S,7R,8S,8aS)-7,8-bis{[tert-butyl(dimethyl)silyl]oxy}-6-((1S,2E)-1-{[tert-butyl(dimethyl)silyl]oxy}-3-iodoprop-2-en-1-yl)octahydropyrano[3,2-b]pyran-2-yl]-2-hydroxy-1-(phenylsulfonyl)propyl]-5-((2S)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}propyl)-4-methoxytetrahydrofuran-2-yl]methyl}-4-methyl-5-methylenetetrahydro-2H-pyran-2-yl)ethyl]-4-methylenetetrahydrofuran-2-yl}propan-1-ol(253128-11-9)

Safety Data

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Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 253128-11-9(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 253128-11-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,3,1,2 and 8 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 253128-11:
(8*2)+(7*5)+(6*3)+(5*1)+(4*2)+(3*8)+(2*1)+(1*1)=109
109 % 10 = 9
So 253128-11-9 is a valid CAS Registry Number.

253128-11-9Upstream product

253128-11-9Downstream Products

253128-11-9Relevant academic research and scientific papers

Commercial manufacture of halaven: Chemoselective transformations en route to structurally complex macrocyclic ketones

Austad, Brian C.,Calkins, Trevor L.,Chase, Charles E.,Fang, Francis G.,Horstmann, Thomas E.,Hu, Yongbo,Lewis, Bryan M.,Niu, Xiang,Noland, Thomas A.,Orr, John D.,Schnaderbeck, Matthew J.,Zhang, Huiming,Asakawa, Naoki,Asai, Naoki,Chiba, Hiroyuki,Hasebe, Takashi,Hoshino, Yorihisa,Ishizuka, Hiroyuki,Kajima, Takashi,Kayano, Akio,Komatsu, Yuki,Kubota, Manabu,Kuroda, Hirofumi,Miyazawa, Mamoru,Tagami, Katsuya,Watanabe, Tomohiro

supporting information, p. 333 - 337 (2013/04/23)

The evolution of the synthesis of Halaven (E7389, INN eribulin mesylate) from a medicinal chemistry process to the execution of the final process on pilot scale is described. The completion of the synthesis of Halaven from C1-C13 ester and C14-C35 sulfone alcohol involves a series of chemo-, regio-, and stereoselective transformations. Furthermore, a high-dilution macrocyclization presented a number of challenges for industrial-scale manufacture (throughput, processing time, and side reactions). This paper describes studies at Eisai leading to an understanding, optimization, and control of the chemistry that realized the reproducible commercial production of Halaven.

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