6,9,12-Trioxa-2-azapentadecanoic acid, 15-[[6-[2-[4-[[[(2S)-3-(1,1-dimethylethoxy)-3-oxo-2-[[(2,4,6-trimethylphen yl)sulfonyl]amino]propyl]amino]carbonyl]phenyl]ethyl]-2-pyridinyl]amino]-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 6,9,12-Trioxa-2-azapentadecanoic acid, 15-[[6-[2-[4-[[[(2S)-3-(1,1-dimethylethoxy)-3-oxo-2-[[(2,4,6-trimethylphen yl)sulfonyl]amino]propyl]amino]carbonyl]phenyl]ethyl]-2-pyridinyl]amino]-, 1,1-dimethylethyl ester
• CAS No.: 801239-58-7
• Molecular Formula: C45H67N5O10S
• Molecular Weight: 870.12
• Mol file: 801239-58-7.mol

Synonyms:

Chemical Property of 6,9,12-Trioxa-2-azapentadecanoic acid, 15-[[6-[2-[4-[[[(2S)-3-(1,1-dimethylethoxy)-3-oxo-2-[[(2,4,6-trimethylphen yl)sulfonyl]amino]propyl]amino]carbonyl]phenyl]ethyl]-2-pyridinyl]amino]-, 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-azapentadecanoic acid, 15-[[6-[2-[4-[[[(2S)-3-(1,1-dimethylethoxy)-3-oxo-2-[[(2,4,6-trimethylphen yl)sulfonyl]amino]propyl]amino]carbonyl]phenyl]ethyl]-2-pyridinyl]amino]-, 1,1-dimethylethyl ester

There total 5 articles about 6,9,12-Trioxa-2-azapentadecanoic acid, 15-[[6-[2-[4-[[[(2S)-3-(1,1-dimethylethoxy)-3-oxo-2-[[(2,4,6-trimethylphen yl)sulfonyl]amino]propyl]amino]carbonyl]phenyl]ethyl]-2-pyridinyl]amino]-, 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%

3S-3-amino-2-(2,4,6-trimethylbenzenesulfonylamino)propionic acid tert-butyl ester (185563-98-8) + 4-{2-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-yl]-ethyl}-benzoic acid (801240-21-1) → 3-(4-{2-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-yl]-ethyl}-benzoylamino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid tert-butyl ester (801239-58-7)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jm049666k

Reference yield:

ethyl 4-ethynylbenzoate (10602-03-6) → 3-(4-{2-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-yl]-ethyl}-benzoylamino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid tert-butyl ester (801239-58-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 77 percent / Pd(PPh₃)2Cl₂; CuI; Et₃N / various solvent(s) / 16 h / 90 °C

2: H₂ / Pd/C / ethanol / 16 h

3: 258 mg / aq. NaOH / methanol; tetrahydrofuran / 16 h / 20 °C

4: 68 percent / EDC; HOBT; NMM / dimethylformamide / 16 h / 20 °C

With 4-methyl-morpholine; bis-triphenylphosphine-palladium(II) chloride; sodium hydroxide; copper(l) iodide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; 1: Sonogashira coupling;

DOI:10.1021/jm049666k

Reference yield:

[3-(2-{2-[3-(6-bromo-pyridin-2-ylamino)-propoxy]-ethoxy}-ethoxy)-propyl]-carbamic acid tert-butyl ester → 3-(4-{2-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-yl]-ethyl}-benzoylamino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid tert-butyl ester (801239-58-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 77 percent / Pd(PPh₃)2Cl₂; CuI; Et₃N / various solvent(s) / 16 h / 90 °C

2: H₂ / Pd/C / ethanol / 16 h

3: 258 mg / aq. NaOH / methanol; tetrahydrofuran / 16 h / 20 °C

4: 68 percent / EDC; HOBT; NMM / dimethylformamide / 16 h / 20 °C

With 4-methyl-morpholine; bis-triphenylphosphine-palladium(II) chloride; sodium hydroxide; copper(l) iodide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; 1: Sonogashira coupling;

DOI:10.1021/jm049666k

upstream raw materials:

3S-3-amino-2-(2,4,6-trimethylbenzenesulfonylamino)propionic acid tert-butyl ester

4-{2-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-yl]-ethyl}-benzoic acid

ethyl 4-ethynylbenzoate

4-[6-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-pyridin-2-ylethynyl]-benzoic acid ethyl ester