N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide

Base Information

• Chemical Name: N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide
• CAS No.: 129585-37-1
• Molecular Formula: C₃₆H₃₈ClF₃N₄O₇S
• Molecular Weight: 763.235
• Mol file: 129585-37-1.mol

Synonyms:N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide

Chemical Property of N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 170.69000
• Density: 1.41g/cm³
• LogP: 7.18420

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide

There total 13 articles about N-((4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)phenyl)oxomethyl)-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-(3-(1,1,1-trifluoro-4-methyl-2-oxopentyl))amide 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:

(S)-N-(benzyloxycarbonyl)valine (1149-26-4) → (3RS)-N-{[4-({[(4-chlorophenyl)sulfonyl]amino}carbonyl)phenyl]oxomethyl}-L-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-[3-(1,1,1-trifluoro-4-methyl-2-oxopentyl)]amide (131565-79-2,129585-37-1)

Guidance literature:

Multi-step reaction with 6 steps

1: DMAP, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (WSCDI) / CH₂Cl₂ / 16 h / Ambient temperature

2: 1 aq. KOH / ethanol / 16 h / Ambient temperature

3: 1.) CDI, 2.) Et₃N / 1.) CH₂Cl₂, RT, 2 h, 2.) CH₂Cl₂, 16 h

4: H₂ / 10percent Pd/C / ethanol / 3 h / 2327.2 Torr

5: 80 percent / HOBT, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (WSCDI) / tetrahydrofuran / 4.5 h / 0 - 20 °C

6: 0.9 g / Dess-Martin periodinane reagent, CF₃COOH / tetrahydrofuran; CH₂Cl₂ / 16 h / Ambient temperature

With dmap; potassium hydroxide; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; 1,1'-carbonyldiimidazole; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm00082a005

Reference yield:

N-(2,3-dihydro-1H-inden-2-yl)glycine ethyl ester hydrochloride (80871-69-8) → (3RS)-N-{[4-({[(4-chlorophenyl)sulfonyl]amino}carbonyl)phenyl]oxomethyl}-L-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-[3-(1,1,1-trifluoro-4-methyl-2-oxopentyl)]amide (131565-79-2,129585-37-1)

Guidance literature:

Multi-step reaction with 6 steps

1: DMAP, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (WSCDI) / CH₂Cl₂ / 16 h / Ambient temperature

2: 1 aq. KOH / ethanol / 16 h / Ambient temperature

3: 1.) CDI, 2.) Et₃N / 1.) CH₂Cl₂, RT, 2 h, 2.) CH₂Cl₂, 16 h

4: H₂ / 10percent Pd/C / ethanol / 3 h / 2327.2 Torr

5: 80 percent / HOBT, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (WSCDI) / tetrahydrofuran / 4.5 h / 0 - 20 °C

6: 0.9 g / Dess-Martin periodinane reagent, CF₃COOH / tetrahydrofuran; CH₂Cl₂ / 16 h / Ambient temperature

With dmap; potassium hydroxide; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; 1,1'-carbonyldiimidazole; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm00082a005

Reference yield:

N-(carbobenzyloxy)-L-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine ethyl ester (131506-23-5) → (3RS)-N-{[4-({[(4-chlorophenyl)sulfonyl]amino}carbonyl)phenyl]oxomethyl}-L-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-[3-(1,1,1-trifluoro-4-methyl-2-oxopentyl)]amide (131565-79-2,129585-37-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 1 aq. KOH / ethanol / 16 h / Ambient temperature

2: 1.) CDI, 2.) Et₃N / 1.) CH₂Cl₂, RT, 2 h, 2.) CH₂Cl₂, 16 h

3: H₂ / 10percent Pd/C / ethanol / 3 h / 2327.2 Torr

4: 80 percent / HOBT, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (WSCDI) / tetrahydrofuran / 4.5 h / 0 - 20 °C

5: 0.9 g / Dess-Martin periodinane reagent, CF₃COOH / tetrahydrofuran; CH₂Cl₂ / 16 h / Ambient temperature

With potassium hydroxide; hydrogen; benzotriazol-1-ol; Dess-Martin periodane; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; 1,1'-carbonyldiimidazole; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm00082a005

upstream raw materials:

<(2R,3S)+(2S,3R)>-N-<<4-<<<(4-chlorophenyl)sulfonyl>amino>carbonyl>phenyl>oxomethyl>-L-valyl-N-(2,3-dihydro-1H-inden-2-yl)glycine N-<3-(1,1,1-trifluoro-4-methyl-2-hydroxypentyl)>amide

4-Chlorobenzenesulfonamide

di-tert-butyl terephthalate

(S)-N-(benzyloxycarbonyl)valine

Refernces