benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

Base Information

• Chemical Name: benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate
• CAS No.: 133038-85-4
• Molecular Formula: C₄₄H₅₀F₂N₄O₇
• Molecular Weight: 784.9
• Mol file: 133038-85-4.mol

Synonyms:benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

Chemical Property of benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 958.4°Cat760mmHg
• PKA: 11.02±0.46(Predicted)
• Flash Point: 533.4°C
• PSA: 165.89000
• Density: 1.21g/cm³
• LogP: 8.63720

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate

There total 10 articles about benzyl N-[(1S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-phenylmeth oxycarbonylamino-butanoyl]amino]-4-oxo-1,6-diphenyl-hexan-2-yl]carbamo yl]-2-methyl-propyl]carbamate 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:

phenylmagnesium bromide (1589-82-8) → {(S)-1-[(1S,4S)-1-Benzyl-4-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,2-difluoro-3-oxo-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester (133038-85-4)

Guidance literature:

Multi-step reaction with 6 steps

1: 88 percent / tetrahydrofuran / 0 °C

2: hydroxylamine hydrochloride, pyridine

3: H₂ / Raney nickel / ethanol

4: 95 percent / Ba(OH)2, H₂O / dioxane

5: dicyclohexylcarbodiimide / dimethylformamide

6: Na₂Cr₂O₇, AcOH

With pyridine; barium dihydroxide; sodium dichromate; hydroxylamine hydrochloride; water; hydrogen; acetic acid; dicyclohexyl-carbodiimide; nickel; In tetrahydrofuran; 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

DOI:10.1039/c39910000110

Reference yield:

((4S,5R)-4-Benzyl-2-oxo-oxazolidin-5-yl)-difluoro-acetic acid → {(S)-1-[(1S,4S)-1-Benzyl-4-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,2-difluoro-3-oxo-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester (133038-85-4)

Guidance literature:

Multi-step reaction with 7 steps

1: dicyclohexylcarbodiimide (DCC)

2: 88 percent / tetrahydrofuran / 0 °C

3: hydroxylamine hydrochloride, pyridine

4: H₂ / Raney nickel / ethanol

5: 95 percent / Ba(OH)2, H₂O / dioxane

6: dicyclohexylcarbodiimide / dimethylformamide

7: Na₂Cr₂O₇, AcOH

With pyridine; barium dihydroxide; sodium dichromate; hydroxylamine hydrochloride; water; hydrogen; acetic acid; dicyclohexyl-carbodiimide; nickel; In tetrahydrofuran; 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

DOI:10.1039/c39910000110

Reference yield:

2-((4S,5R)-4-Benzyl-2-oxo-oxazolidin-5-yl)-2,2-difluoro-N-methoxy-N-methyl-acetamide (134450-42-3) → {(S)-1-[(1S,4S)-1-Benzyl-4-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,2-difluoro-3-oxo-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester (133038-85-4)

Guidance literature:

Multi-step reaction with 6 steps

1: 88 percent / tetrahydrofuran / 0 °C

2: hydroxylamine hydrochloride, pyridine

3: H₂ / Raney nickel / ethanol

4: 95 percent / Ba(OH)2, H₂O / dioxane

5: dicyclohexylcarbodiimide / dimethylformamide

6: Na₂Cr₂O₇, AcOH

With pyridine; barium dihydroxide; sodium dichromate; hydroxylamine hydrochloride; water; hydrogen; acetic acid; dicyclohexyl-carbodiimide; nickel; In tetrahydrofuran; 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

DOI:10.1039/c39910000110

upstream raw materials:

{(S)-1-[(1S,3R,4S)-1-Benzyl-4-((S)-2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2,2-difluoro-3-hydroxy-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

(S)-N-(benzyloxycarbonyl)valine

phenylmagnesium bromide

(4S,5R)-4-Benzyl-5-(1,1-difluoro-2-oxo-3-phenyl-propyl)-oxazolidin-2-one

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