[21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S)

Base Information

• Chemical Name: [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S)
• CAS No.: 252353-89-2
• Molecular Formula: C₄₀H₆₉N₇O₈
• Molecular Weight: 776.03
• Mol file: 252353-89-2.mol

Synonyms:[21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S)

Chemical Property of [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S)

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S)

There total 10 articles about [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S) 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: 88.0%

3-[(4-aminobutyl)(phenylmethyl)amino-1(S)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester (170367-73-4) + C26H39N7O7 → [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S) (252353-89-2)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm991043x

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S) (252353-89-2)

Guidance literature:

Multi-step reaction with 9 steps

1: 80 percent / tetrahydrofuran / 1 h / 20 °C

2: 86 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

3: 72 percent / dimethylsulfoxide / 15 h / 40 - 45 °C

4: 94 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

5: 98 percent / 3 Angstroem molecular sieves / diethyl ether / 20 h / 20 °C

6: 84 percent / NaBH₄ / ethanol / 3 h / 10 °C

7: 93 percent / KI; Na₂CO₃ / butan-1-ol / 20 h / Heating

8: 90 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

9: 88 percent / CH₂Cl₂ / 0 - 20 °C

With sodium tetrahydroborate; 3 A molecular sieve; ammonia; hydrogen; sodium carbonate; triethylamine; potassium iodide; nickel; In tetrahydrofuran; diethyl ether; ethanol; dichloromethane; dimethyl sulfoxide; butan-1-ol; 1: tert-Butyloxycarbonylation / 2: Mesylation / 3: Substitution / 4: Catalytic hydrogenation / 5: Condensation / 6: Reduction / 7: Alkylation / 8: Catalytic hydrogenation / 9: Condensation;

DOI:10.1021/jm991043x

Reference yield:

(S)-2-t-butoxycarbonylaminopropan-1-ol (79069-13-9) → [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S) (252353-89-2)

Guidance literature:

Multi-step reaction with 8 steps

1: 86 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

2: 72 percent / dimethylsulfoxide / 15 h / 40 - 45 °C

3: 94 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

4: 98 percent / 3 Angstroem molecular sieves / diethyl ether / 20 h / 20 °C

5: 84 percent / NaBH₄ / ethanol / 3 h / 10 °C

6: 93 percent / KI; Na₂CO₃ / butan-1-ol / 20 h / Heating

7: 90 percent / H₂; NH₃ / Raney Ni / ethanol / 15 h / 20 °C / 4500.36 Torr

8: 88 percent / CH₂Cl₂ / 0 - 20 °C

With sodium tetrahydroborate; 3 A molecular sieve; ammonia; hydrogen; sodium carbonate; triethylamine; potassium iodide; nickel; In diethyl ether; ethanol; dichloromethane; dimethyl sulfoxide; butan-1-ol; 1: Mesylation / 2: Substitution / 3: Catalytic hydrogenation / 4: Condensation / 5: Reduction / 6: Alkylation / 7: Catalytic hydrogenation / 8: Condensation;

DOI:10.1021/jm991043x

upstream raw materials:

3-[(4-aminobutyl)(phenylmethyl)amino-1(S)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester

di-tert-butyl dicarbonate

(S)-2-t-butoxycarbonylaminopropan-1-ol

(2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate