t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate

Base Information

• Chemical Name: t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate
• CAS No.: 1029127-63-6
• Molecular Formula: C₅₇H₉₅N₅O₁₀
• Molecular Weight: 1010.41
• Mol file: 1029127-63-6.mol

Synonyms:t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate

Chemical Property of t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate

There total 6 articles about t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate 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: 67.0%

tert-butyl {4-[3-(4-amino-phenyl)-2-(tert-butoxycarbonylmethyl-amino)-propyl]-7-tert-butoxycarbonylmethyl-[1,4,7]triazonan-1-yl}-acetate (1016237-83-4) + (R)-3-[4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyl]-thiazolidin-2-one (1029127-60-3) → t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate (1029127-63-6)

Guidance literature:

With triethylamine; In dichloromethane; for 48h; Heating;

DOI:10.1016/j.bmcl.2008.01.044

Reference yield:

cholic acid (81-25-4) → t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate (1029127-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 24 h / 20 °C

2: triethylamine / dichloromethane / 48 h / Reflux

With dmap; triethylamine; dicyclohexyl-carbodiimide; In dichloromethane;

Reference yield:

tert-butyl {4-tert-butoxycarbonylmethyl-7-[2-(tert-butoxycarbonylmethyl-amino)-3-(4-nitro-phenyl)-propyl]-[1,4,7]-triazonan-1-yl}-acetate → t-butyl [4-tert-butoxycarbonylmethyl-7-(2-(tert-butoxycarbonylmethyl-amino)-3-{4-[(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]-triazonan-1-yl]acetate (1029127-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 14 h / 20 °C / 1034.32 Torr

2: triethylamine / dichloromethane / 48 h / Reflux

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; dichloromethane;

upstream raw materials:

tert-butyl {4-[3-(4-amino-phenyl)-2-(tert-butoxycarbonylmethyl-amino)-propyl]-7-tert-butoxycarbonylmethyl-[1,4,7]triazonan-1-yl}-acetate

(R)-3-[4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyl]-thiazolidin-2-one

cholic acid

1,4-di-tert-butyl 7-(2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propyl)-1,4,7-triazonane-1,4-dicarboxylate

Downstream raw materials:

[4-carboxymethyl-7-(2-(carboxymethylamino)-3-{4-[4-(3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-phenyl}-propyl)-[1,4,7]triazonan-1-yl]-acetic acid