PH-064

Base Information

• Chemical Name: PH-064
• CAS No.: 892546-37-1
• Molecular Formula: C44H58N8O2S2
• Molecular Weight: 795.11
• Mol file: 892546-37-1.mol

Synonyms:PH-064;BIM-46187;IMidazo[1,2-a]pyrazine, 7,7'-[dithiobis[(2R)-2-aMino-1-oxo-3,1-propanediyl]]bis[8-(cyclohexylMethyl)-5,6,7,8-tetrahydro-2-phenyl-, (8S,8'S)- (9CI)

Chemical Property of PH-064

Chemical Property:

• Boiling Point: 1024.3±65.0 °C(Predicted)
• PKA: 6.74±0.33(Predicted)
• PSA: 178.90000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 9.13360

Purity/Quality:

99%, ^*data from raw suppliers

PH-064 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PH-064

There total 7 articles about PH-064 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: 72.0%

tert-butyl (R)-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-oxo-3-(tritylthio)propan-2-ylcarbamate → (S,2R,2'R)-3,3'-disulfanediylbis(2-amino-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)propan-1-one) tetrahydrochloride (892546-37-1)

Guidance literature:

tert-butyl (R)-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-oxo-3-(tritylthio)propan-2-ylcarbamate; With chlorotriisopropylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 18h; Inert atmosphere;

With hydrogenchloride; In ethyl acetate;

With iodine; In methanol; water; at 20 ℃; for 2h;

DOI:10.1002/chem.202001446

Reference yield:

(S)-2-tert-butoxycarbonylamino-3-cyclohexylpropionic acid (37736-82-6) → (S,2R,2'R)-3,3'-disulfanediylbis(2-amino-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)propan-1-one) tetrahydrochloride (892546-37-1)

Guidance literature:

Multi-step reaction with 7 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.17 h / 20 °C

1.2: 4 h / 20 °C

2.1: ammonium acetate / toluene / 3 h / Reflux

3.1: caesium carbonate / N,N-dimethyl-formamide / 0.5 h / 20 °C

3.2: 3 h / 20 °C

4.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

4.2: 2 h / 20 °C

5.1: borane-THF / tetrahydrofuran / 48 h / 760.05 Torr / Inert atmosphere; Reflux

5.2: 20 °C / Schlenk technique; Inert atmosphere

6.1: dicyclohexyl-carbodiimide / dichloromethane / 0.5 h / Inert atmosphere

6.2: 48 h / 20 °C / Inert atmosphere

7.1: trifluoroacetic acid; chlorotriisopropylsilane / dichloromethane / 18 h / 20 °C / Inert atmosphere

7.3: 2 h / 20 °C

With borane-THF; chlorotriisopropylsilane; ammonium acetate; potassium carbonate; caesium carbonate; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1002/chem.202001446

Reference yield:

(S)-ethyl 2-(2-(1-(tert-butoxycarbonylamino)-2-cyclohexylethyl)-4-phenyl-1H-imidazol-1-yl)acetate → (S,2R,2'R)-3,3'-disulfanediylbis(2-amino-1-((S)-8-(cyclohexylmethyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)propan-1-one) tetrahydrochloride (892546-37-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

1.2: 2 h / 20 °C

2.1: borane-THF / tetrahydrofuran / 48 h / 760.05 Torr / Inert atmosphere; Reflux

2.2: 20 °C / Schlenk technique; Inert atmosphere

3.1: dicyclohexyl-carbodiimide / dichloromethane / 0.5 h / Inert atmosphere

3.2: 48 h / 20 °C / Inert atmosphere

4.1: trifluoroacetic acid; chlorotriisopropylsilane / dichloromethane / 18 h / 20 °C / Inert atmosphere

4.3: 2 h / 20 °C

With borane-THF; chlorotriisopropylsilane; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/chem.202001446

upstream raw materials:

(S)-2-tert-butoxycarbonylamino-3-cyclohexylpropionic acid

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