4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE

Base Information

• Chemical Name: 4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE
• CAS No.: 178803-51-5
• Molecular Formula: C27H37 N3 O
• Molecular Weight: 419.61
• Mol file: 178803-51-5.mol

Synonyms:Benzamide,4-[(S)-[(2S,5R)-2,5-dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethyl-(9CI); Benzamide,4-[[2,5-dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethyl-,[2S-[1(R*),2a,5b]]-; 4-[(aS)-a-[(2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl]benzyl]-N,N-diethylbenzamide;SNC 162

Chemical Property of 4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE

Chemical Property:

• Vapor Pressure: 1.4E-11mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 536.4°Cat760mmHg
• Flash Point: 202.4°C
• PSA: 26.79000
• Density: 1.027g/cm³
• LogP: 4.71440
• Storage Temp.: Store at RT

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

SNC 162 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Opioid agonists exert a broad range of effects on the immune system ranging from inflammatory response modulation to opioid and chemokine receptor expression. SNC 162 is a selective δ-opioid receptor agonist.

Technology Process of 4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE

There total 7 articles about 4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE 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: 22.0%

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine (155836-78-5) + 4-(Chloro-phenyl-methyl)-N,N-diethylbenzamide (186094-11-1) → 4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide + SNC 162 (178803-51-5)

Guidance literature:

With potassium carbonate; In acetonitrile; for 72h; Heating;

DOI:10.1021/jm960319n

Reference yield:

4-carboxybenzophenone (611-95-0) → SNC 162 (178803-51-5)

Guidance literature:

Multi-step reaction with 5 steps

1: SOCl₂ / benzene / 3 h / Heating

2: CHCl₃ / 4 h / Ambient temperature

3: 81 percent / NaBH₄ / ethanol; H₂O / 2 h / Heating

4: 94 percent / 37percent aq. HCl / CHCl₃ / Ambient temperature

5: 22 percent / K₂CO₃ / acetonitrile / 72 h / Heating

With hydrogenchloride; sodium tetrahydroborate; thionyl chloride; potassium carbonate; In ethanol; chloroform; water; acetonitrile; benzene;

DOI:10.1021/jm960319n

Reference yield:

4-benzoylbenzoyl chloride (39148-58-8) → SNC 162 (178803-51-5)

Guidance literature:

Multi-step reaction with 4 steps

1: CHCl₃ / 4 h / Ambient temperature

2: 81 percent / NaBH₄ / ethanol; H₂O / 2 h / Heating

3: 94 percent / 37percent aq. HCl / CHCl₃ / Ambient temperature

4: 22 percent / K₂CO₃ / acetonitrile / 72 h / Heating

With hydrogenchloride; sodium tetrahydroborate; potassium carbonate; In ethanol; chloroform; water; acetonitrile;

DOI:10.1021/jm960319n

upstream raw materials:

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine

4-(Chloro-phenyl-methyl)-N,N-diethylbenzamide

4-carboxybenzophenone

4-benzoylbenzoyl chloride

Refernces