6,9,12-Trioxa-2,16-diazaheptadecanoic acid, 17-[5-[(1,1-dimethylethoxy)carbonyl]-2-fluorophenyl]-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 6,9,12-Trioxa-2,16-diazaheptadecanoic acid, 17-[5-[(1,1-dimethylethoxy)carbonyl]-2-fluorophenyl]-, 1,1-dimethylethyl ester
• CAS No.: 801239-74-7
• Molecular Formula: C27H45FN2O7
• Molecular Weight: 528.662
• Mol file: 801239-74-7.mol

Synonyms:

Chemical Property of 6,9,12-Trioxa-2,16-diazaheptadecanoic acid, 17-[5-[(1,1-dimethylethoxy)carbonyl]-2-fluorophenyl]-, 1,1-dimethylethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 6,9,12-Trioxa-2,16-diazaheptadecanoic acid, 17-[5-[(1,1-dimethylethoxy)carbonyl]-2-fluorophenyl]-, 1,1-dimethylethyl ester

There total 1 articles about 6,9,12-Trioxa-2,16-diazaheptadecanoic acid, 17-[5-[(1,1-dimethylethoxy)carbonyl]-2-fluorophenyl]-, 1,1-dimethylethyl ester 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: 68.0%

tert-butyl-4-fluoro-3(alpha-bromomethyl)benzoate (193473-82-4) + tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate (194920-62-2) → 3-[(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-methyl]-4-fluoro-benzoic acid tert-butyl ester (801239-74-7)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm049666k

Reference yield: 88.0%

N-(benzyloxycarbonyl)-L-aspartic acid 4-methyl ester (3160-47-2) + 3-[(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-methyl]-4-fluoro-benzoic acid tert-butyl ester (801239-74-7) → methyl (S)-3-(N-(3-(2-(2-(3-((tert-butoxy)carbonyl amino)propoxy)ethoxy)ethoxy)propyl)-N-((5-((tert-butyl)oxy carbonyl)-2-fluorophenyl)methyl)carbamoyl)-3-((phenylmethoxy)carbonylamino)propanoate (801239-76-9)

Guidance literature:

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide;

DOI:10.1021/jm049666k

Reference yield:

3-[(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-methyl]-4-fluoro-benzoic acid tert-butyl ester (801239-74-7) → 3-{[(2-amino-3-methoxycarbonyl-propionyl)-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propyl)-amino]-methyl}-4-fluoro-benzoic acid tert-butyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / EDC; HOBT / dimethylformamide

2: H₂ / Pd/C / ethanol

With hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm049666k

upstream raw materials:

tert-butyl-4-fluoro-3(alpha-bromomethyl)benzoate

tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate

Downstream raw materials:

methyl (S)-3-(N-(3-(2-(2-(3-((tert-butoxy)carbonyl amino)propoxy)ethoxy)ethoxy)propyl)-N-((5-((tert-butyl)oxy carbonyl)-2-fluorophenyl)methyl)carbamoyl)-3-((phenylmethoxy)carbonylamino)propanoate