3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

Base Information

Chemical Name:3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester
CAS No.:416899-55-3
Molecular Formula:C₆₀H₈₁N₇O₁₁
Molecular Weight:1076.34
Hs Code.:

3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

Synonyms:3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

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Chemical Property of 3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

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Technology Process of 3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

There total 9 articles about 3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl 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: 95.0%

: 3-[2-((S)-2-Amino-3-phenyl-propionylamino)-acetylamino]-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester; hydrochloride

: 1142-20-7
N-Cbz-Ala

: 416899-55-3
3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

Guidance literature:: With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In N,N-dimethyl-formamide;
DOI:10.1021/ja010701b

Reference yield:

: octyl 3-((aminomethylcarbonyl)amino)-5-((5'-hexanoamido-2'-octyloxy)phenylcarbonylaminomethylcarbonylamino)benzoate hydrochloride

: 416899-55-3
3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / EDC; HOBT / dimethylformamide

2: 94 percent / hydrogen; conc. HCl / Pd/C / dimethylformamide; methanol / 20 °C

3: 95 percent / EDC; HOBT; Et₃N / dimethylformamide

With hydrogenchloride; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/ja010701b

Reference yield:

: 416899-51-9
octyl 3-((((phenylmethoxy)carbonyl)aminomethylcarbonyl)amino)-5-((5'-hexanoamido-2'-octyloxy)phenylcarbonylaminomethylcarbonylamino)-benzoate

: 416899-55-3
3-{2-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-phenyl-propionylamino]-acetylamino}-5-[2-(5-hexanoylamino-2-octyloxy-benzoylamino)-acetylamino]-benzoic acid octyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / hydrogen; conc. HCl / Pd/C / methanol; dimethylformamide / 20 °C

2: 84 percent / EDC; HOBT / dimethylformamide

3: 94 percent / hydrogen; conc. HCl / Pd/C / dimethylformamide; methanol / 20 °C

4: 95 percent / EDC; HOBT; Et₃N / dimethylformamide

With hydrogenchloride; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/ja010701b