Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl-

Base Information

• Chemical Name: Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl-
• CAS No.: 62033-61-8
• Molecular Formula: C16H25NO2
• Molecular Weight: 263.37500
• ChEMBL ID: CHEMBL34810
• DSSTox Substance ID: DTXSID60461693
• Mol file: 62033-61-8.mol

Synonyms:Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl-;62033-61-8;CHEMBL34810;SCHEMBL11625046;DTXSID60461693;CMNFYRABBDCGJH-UHFFFAOYSA-N;N-propyl-3-(3',4'-dimethoxyphenyl)-piperidine

Chemical Property of Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl-

Chemical Property:

• Boiling Point: 355.7±42.0 °C(Predicted)
• PSA: 21.70000
• Density: 0.998±0.06 g/cm3(Predicted)
• LogP: 3.23110
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 263.188529040
• Heavy Atom Count: 19
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CCCC(C1)C2=CC(=C(C=C2)OC)OC

Technology Process of Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl-

There total 14 articles about Piperidine, 3-(3,4-dimethoxyphenyl)-1-propyl- 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: 92.0%

3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one (459453-71-5) → 3-(3,4-dimethoxyphenyl)-1-propylpiperidine (62033-61-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1016/S0040-4020(02)00282-X

Reference yield:

3,4-dimethoxyphenylmagnesium bromide (89980-69-8) → 3-(3,4-dimethoxyphenyl)-1-propylpiperidine (62033-61-8)

Guidance literature:

Multi-step reaction with 8 steps

1: tetrahydrofuran / 0.5 h / 60 °C

2: TsOH / benzene / 4 h / Heating

3: 63 percent / NaH / tetrahydrofuran / 0.5 h / Heating

4: NaBH₄ / methanol; tetrahydrofuran / 2 h / 4 - 7 °C

5: BF₃*Et₂O; MgSO₄ / CH₂Cl₂ / 5 h / 20 °C

6: H₂ / Pd(OH)2/C / acetic acid / 3 h / 20 °C

7: Na/Hg; Na₃PO₄ / methanol / 2 h / 20 °C

8: 92 percent / LiAlH₄ / tetrahydrofuran / 2 h / Heating

With sodium tetrahydroborate; sodium amalgam; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; hydrogen; sodium hydride; magnesium sulfate; toluene-4-sulfonic acid; sodium phosphate; palladium dihydroxide; In tetrahydrofuran; methanol; dichloromethane; acetic acid; benzene;

DOI:10.1016/S0040-4020(02)00282-X

Reference yield:

N-propionyl-3-(3',4'-dimethoxyphenyl)-piperidine (62033-62-9) → 3-(3,4-dimethoxyphenyl)-1-propylpiperidine (62033-61-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/jm00144a021

upstream raw materials:

N-propionyl-3-(3',4'-dimethoxyphenyl)-piperidine

3-(3,4-dimethoxyphenyl)-1-propylpiperidin-2-one

N-(propyl)chloroacetamide

N-propyl-2-(4-methylphenyl)sulfonylacetamide

Downstream raw materials:

3-(3,4-dihydroxyphenyl)-N-n-propylpiperidine