DMP 777

Base Information

• Chemical Name: DMP 777
• CAS No.: 157341-41-8
• Molecular Formula: C31H40 N4 O6
• Molecular Weight: 564.682
• Mol file: 157341-41-8.mol

Synonyms:1-Azetidinecarboxamide,N-[1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-,[S-(R*,S*)]-; DMP 777; L 694458

Chemical Property of DMP 777

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: pKa 7.04(H2O tunde?ned Iunde?ned) (Uncertain)
• Flash Point: °C
• PSA: 100.65000
• Density: 1.227g/cm³
• LogP: 4.61200

Purity/Quality:

98% ^*data from raw suppliers

DMP777 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DMP 777

There total 20 articles about DMP 777 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: 93.0%

1-(2H-benzo[d]1,3-dioxolen-5-yl)-(R)-butyl isocyanate (181481-55-0) + (4S)-3,3-diethyl-4-{4-[(4-methylpiperazinyl)-carbonyl]phenoxy}azetidin-2-one (181481-54-9) → L-694,458 (157341-41-8)

Guidance literature:

With lithium tert-butoxide; In hexane; toluene; at -10 ℃; Large scale;

DOI:10.1021/op015507o

Reference yield:

1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)butan-1-one (63740-97-6) → L-694,458 (157341-41-8)

Guidance literature:

Multi-step reaction with 5 steps

1: (S)-oxazaborolidine-borane complex

2: diphenylphosphoryl azide, DBU / toluene / 0-5 deg C -> room temperature 2-3 h, 16 h

3: LiAlH₄ / tetrahydrofuran; toluene / 8 h / 23 °C

4: 98 percent / HCl / toluene / 1.33 h / 100 °C

5: 80 percent / DBU / acetonitrile / 1 h

With hydrogenchloride; lithium aluminium tetrahydride; (S)-oxazaborolidine-borane; diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; toluene; acetonitrile;

DOI:10.1021/jo960618k

Reference yield:

1-methyl-piperazine (109-01-3) → L-694,458 (157341-41-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HOBT, DCC / various solvent(s) / 1.5 h / 48 - 50 °C

2: 80 percent / DBU / acetonitrile / 1 h

With benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene; dicyclohexyl-carbodiimide; In acetonitrile;

DOI:10.1021/jo960618k

upstream raw materials:

1-(2H-benzo[d]1,3-dioxolen-5-yl)-(R)-butyl isocyanate

(4S)-3,3-diethyl-4-{4-[(4-methylpiperazinyl)-carbonyl]phenoxy}azetidin-2-one

1-methyl-piperazine

piperonal

Downstream raw materials:

1-(1,3-benzodioxol-5-yl)butan-1-ol

1-(4-hydroxybenzoyl)-4-methyl-piperazine