5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

Base Information

• Chemical Name: 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-
• CAS No.: 1499193-61-1
• Molecular Formula: C₂₇H₂₆BrF₂NO₅
• Molecular Weight: 562.408
• Mol file: 1499193-61-1.mol

Synonyms:5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

Chemical Property of 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

Chemical Property:

• Boiling Point: 617.5±55.0 °C(Predicted)
• PKA: -3.06±0.40(Predicted)
• PSA: 72.91000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 6.02300

Purity/Quality:

≥95% ^*data from raw suppliers

5-Azaspiro[2.4]heptane-5,6-dicarboxylicacid,6-[2-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl]5-(1,1-dimethylethyl)ester,(6S)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)-

There total 16 articles about 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 6-[2-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl] 5-(1,1-diMethylethyl) ester, (6S)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid (1129634-44-1,1454843-77-6,1454843-78-7) + 1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone (1378387-81-5) → (S)-6-(2-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl) 5-tert-butyl 5-azaspiro[2.4]heptane-5,6-dicarboxylate (1499193-61-1)

Guidance literature:

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid; With potassium carbonate; In acetone; at 35 ℃; for 3h; Inert atmosphere;

1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone; With sodium iodide; In acetone; at 35 ℃; for 3h;

Reference yield: 95.0%

C8H10NO4(1-)*K(1+) + 1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone (1378387-81-5) → (S)-6-(2-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl) 5-tert-butyl 5-azaspiro[2.4]heptane-5,6-dicarboxylate (1499193-61-1)

Guidance literature:

In acetone; at 55 ℃;

Reference yield: 95.0%

1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone (1378387-81-5) + (S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylate (1441673-92-2) → (S)-6-(2-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-2-oxoethyl) 5-tert-butyl 5-azaspiro[2.4]heptane-5,6-dicarboxylate (1499193-61-1)

Guidance literature:

In acetone; at 55 ℃;

upstream raw materials:

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

[1-(hydroxymethyl)cyclopropyl]methanol

1,1-bis(iodomethyl)cyclopropane

cyclopropane-1,1-diylbis(methylene) dimethanesulfonate

Refernces

• 1、 -. "Hepatitis C virus inhibitor, medical composition and application thereof". . . Retrieved 2017/04/18.
• 2、 Link, John O.,Taylor, James G.,Xu, Lianhong,Mitchell, Michael,Guo, Hongyan,Liu, Hongtao,Kato, Darryl,Kirschberg, Thorsten,Sun, Jianyu,Squires, Neil,Parrish, Jay,Keller, Terry,Yang, Zheng-Yu,Yang, Chris,Matles, Mike,Wang, Yujin,Wang, Kelly,Cheng, Guofeng,Tian, Yang,Mogalian, Erik,Mondou, Elsa,Cornpropst, Melanie,Perry, Jason,Desai, Manoj C.. "Discovery of ledipasvir (GS-5885): A potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection". . p. 2033 - 2046. Retrieved 2014/04/03.