N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine

Base Information

• Chemical Name: N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine
• CAS No.: 149338-20-5
• Molecular Formula: C₁₇H₂₂ClN₃O₂S
• Molecular Weight: 367.9
• DSSTox Substance ID: DTXSID40933621
• Nikkaji Number: J514.210E
• Mol file: 149338-20-5.mol

Synonyms:BRN 5828423;N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine;Piperidinepropanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-2-methyl-;149338-20-5;C17H22ClN3O2S;DTXSID40933621;C17-H22-Cl-N3-O2-S;5-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitro-1-benzothiophen-3-amine;LS-115963;N-[3-(2-Methylpiperidino)propyl]-5-chloro-2-nitrobenzo[b]thiophen-3-amine

Chemical Property of N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine

Chemical Property:

• Vapor Pressure: 7.79E-12mmHg at 25°C
• Boiling Point: 542.6°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 89.33000
• Density: 1.3g/cm³
• LogP: 5.67340
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.1121258
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCN1CCCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]

Technology Process of N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine

There total 2 articles about N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-2-methylpiperidinepropanamine 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: 90.0%

3-(2-Methyl-piperidino)-propylamin (25560-00-3) + 5-chloro-3-bromo-2-nitro-benzothiophene (138993-25-6) → (5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-[3-(2-methyl-piperidin-1-yl)-propyl]-amine (149338-20-5)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

Reference yield:

3-bromo-5-chlorobenzo[b]thiophene (32969-26-9) → (5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-[3-(2-methyl-piperidin-1-yl)-propyl]-amine (149338-20-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 22 percent / 90percent aq. nitric acid / acetic acid; acetic anhydride / 1.5 h / 20 °C

2: 90 percent / dimethylformamide / Ambient temperature

With nitric acid; In acetic anhydride; acetic acid; N,N-dimethyl-formamide;

Reference yield: 30.0%

2-oxo-3-(phenyl)propionic acid (156-06-9) + (5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-[3-(2-methyl-piperidin-1-yl)-propyl]-amine (149338-20-5) → 3-Benzyl-8-chloro-1-[3-(2-methyl-piperidin-1-yl)-propyl]-1H-benzo[4,5]thieno[2,3-b]pyrazin-2-one

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 15h; Ambient temperature;

upstream raw materials:

3-(2-Methyl-piperidino)-propylamin

5-chloro-3-bromo-2-nitro-benzothiophene

3-bromo-5-chlorobenzo[b]thiophene

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