(S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
• CAS No.: 150115-89-2
• Molecular Formula: C₄₉H₆₃N₇O₁₀
• Molecular Weight: 910.08

Synonyms:

Chemical Property of (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

There total 7 articles about (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl 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:

t-Boc-L-valine (13734-41-3) → (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester (150115-89-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

2: HCl(g) / CH₂Cl₂ / 1 h / 0 °C

3: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

With 4-methyl-morpholine; hydrogenchloride; isobutyl chloroformate; In dichloromethane;

DOI:10.1016/S0040-4020(01)90218-2

Reference yield:

Boc-Lys(Z)-OH (2389-45-9) → (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester (150115-89-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

2: HCl(g) / CH₂Cl₂ / 1 h / 0 °C

3: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

4: HCl(g) / CH₂Cl₂ / 1 h / 0 °C

5: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

With 4-methyl-morpholine; hydrogenchloride; isobutyl chloroformate; In dichloromethane;

DOI:10.1016/S0040-4020(01)90218-2

Reference yield:

(8-Aminomethyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetic acid ethyl ester (149195-66-4) → (S)-2-((S)-1-{(S)-5-Benzyloxycarbonylamino-1-[(1-ethoxycarbonylmethyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-8-ylmethyl)-carbamoyl]-pentylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester (150115-89-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

2: HCl(g) / CH₂Cl₂ / 1 h / 0 °C

3: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

4: HCl(g) / CH₂Cl₂ / 1 h / 0 °C

5: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) THF, -15 deg C, 5 min, 2.) -15 deg C, 20 min

With 4-methyl-morpholine; hydrogenchloride; isobutyl chloroformate; In dichloromethane;

DOI:10.1016/S0040-4020(01)90218-2

upstream raw materials:

1-(tert-butoxycarbonyl)-L-proline

t-Boc-L-valine

Boc-Lys(Z)-OH

(8-Aminomethyl-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetic acid ethyl ester

Downstream raw materials:

C₅₈H₇₂N₈O₁₁

C₆₄H₈₃N₉O₁₂

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