C₄₅H₄₄N₆O₆S

Base Information

• Chemical Name: C₄₅H₄₄N₆O₆S
• CAS No.: 1354578-24-7
• Molecular Formula: C₄₅H₄₄N₆O₆S
• Molecular Weight: 796.947
• Mol file: 1354578-24-7.mol

Synonyms:C₄₅H₄₄N₆O₆S

Chemical Property of C₄₅H₄₄N₆O₆S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₅H₄₄N₆O₆S

There total 12 articles about C₄₅H₄₄N₆O₆S 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:

Bzls-D-Phe(4-AMe)-Phe(4-AMe)-4-cyanobenzylamide*2TFA + 1,3-benzenediacetic acid (19806-17-8) → C45H44N6O6S (1354578-24-7)

Guidance literature:

1,3-benzenediacetic acid; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 0.25h; Cooling with ice;

Bzls-D-Phe(4-AMe)-Phe(4-AMe)-4-cyanobenzylamide*2TFA; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 51h; Cooling with ice;

Reference yield:

(2R)-2-amino-3-(4-cyanophenyl)propanoic acid (263396-44-7) → C45H44N6O6S (1354578-24-7)

Guidance literature:

Multi-step reaction with 8 steps

1.1: sodium hydroxide / water; tert-butyl alcohol / 20 °C

2.1: hydrogen / palladium 10% on activated carbon / 40 °C

3.1: N-ethyl-N,N-diisopropylamine / methanol / 1 h

4.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 0 - 20 °C

5.1: hydrogenchloride; acetic acid / 1.5 h

6.1: 4-methyl-morpholine / tetrahydrofuran / 0 - 20 °C

7.1: sodium hydroxide / 1,4-dioxane / 3 h / 45 °C

8.1: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 0.25 h / Cooling with ice

8.2: 51 h / 20 °C / Cooling with ice

With 4-methyl-morpholine; hydrogenchloride; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; methanol; water; N,N-dimethyl-formamide; tert-butyl alcohol;

Reference yield:

(2R)-2-[(tert-butoxy)carbonylamino]-3-(4-cyanophenyl)propanoic acid (146727-62-0) → C45H44N6O6S (1354578-24-7)

Guidance literature:

Multi-step reaction with 7 steps

1.1: hydrogen / palladium 10% on activated carbon / 40 °C

2.1: N-ethyl-N,N-diisopropylamine / methanol / 1 h

3.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 0 - 20 °C

4.1: hydrogenchloride; acetic acid / 1.5 h

5.1: 4-methyl-morpholine / tetrahydrofuran / 0 - 20 °C

6.1: sodium hydroxide / 1,4-dioxane / 3 h / 45 °C

7.1: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 0.25 h / Cooling with ice

7.2: 51 h / 20 °C / Cooling with ice

With 4-methyl-morpholine; hydrogenchloride; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; acetic acid; N-ethyl-N,N-diisopropylamine; sodium hydroxide; palladium 10% on activated carbon; In tetrahydrofuran; 1,4-dioxane; methanol; N,N-dimethyl-formamide;

upstream raw materials:

4-cyanobenzylamine hydrochloride

1,3-benzenediacetic acid

(2R)-2-[(tert-butoxy)carbonylamino]-3-(4-cyanophenyl)propanoic acid

(2R)-2-amino-3-(4-cyanophenyl)propanoic acid

Downstream raw materials:

C₄₅H₄₇N₇O₇S

C₂HF₃O₂*C₄₅H₄₇N₇O₆S

Refernces