Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate

Base Information

• Chemical Name: Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
• CAS No.: 5281-48-1
• Molecular Formula: C₂₀H₂₆ClNO₂
• Molecular Weight: 347.885
• DSSTox Substance ID: DTXSID20410167
• Mol file: 5281-48-1.mol

Synonyms:5281-48-1;AC1NPTZV;DTXSID20410167

Chemical Property of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate

Chemical Property:

• Vapor Pressure: 2.81E-11mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 529°Cat760mmHg
• Flash Point: 273.7°C
• Density: 1.188g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 337.18016980
• Heavy Atom Count: 24
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Technology Process of Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate

There total 5 articles about Methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate 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:

3-(4-Chloro-phenyl)-N-(3,4-dimethoxy-benzyl)-propionamide (17052-48-1) → [3-(4-Chloro-phenyl)-propyl]-(3,4-dimethoxy-benzyl)-ethyl-amine (5281-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: (i) Py, (ii) LiAlH₄

With lithium aluminium tetrahydride;

Reference yield:

3,4-dimethoxybenzylamine (5763-61-1) → [3-(4-Chloro-phenyl)-propyl]-(3,4-dimethoxy-benzyl)-ethyl-amine (5281-48-1)

Guidance literature:

Multi-step reaction with 3 steps

1: Py

2: LiAlH₄

3: (i) Py, (ii) LiAlH₄

With pyridine; lithium aluminium tetrahydride;

Reference yield:

3-(4-chlorophenyl)propanoyl chloride (52085-96-8) → [3-(4-Chloro-phenyl)-propyl]-(3,4-dimethoxy-benzyl)-ethyl-amine (5281-48-1)

Guidance literature:

Multi-step reaction with 3 steps

1: Py

2: LiAlH₄

3: (i) Py, (ii) LiAlH₄

With pyridine; lithium aluminium tetrahydride;

upstream raw materials:

[3-(4-Chloro-phenyl)-propyl]-(3,4-dimethoxy-benzyl)-amine

acetyl chloride

3-(4-Chloro-phenyl)-N-(3,4-dimethoxy-benzyl)-propionamide

3,4-dimethoxybenzylamine