4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride

Base Information

• Chemical Name: 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride
• CAS No.: 106010-29-1
• Molecular Formula: C₁₂H₁₇NO₂*ClH
• Molecular Weight: 243.733
• DSSTox Substance ID: DTXSID30147477
• Mol file: 106010-29-1.mol

Synonyms:4-(3-Buten-1-ynyl)-1-methyl-4-piperidinol acetate (ester), hydrochloride;4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride;106010-29-1;1-Methyl-4-vinylethynyl-4-acetoxypiperidine hydrochloride;DTXSID30147477;LS-116860

Chemical Property of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride

Chemical Property:

• Vapor Pressure: 0.00559mmHg at 25°C
• Boiling Point: 273.9°Cat760mmHg
• Flash Point: 96.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(CCN(CC1)C)C#CC=C.Cl

Technology Process of 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride

There total 2 articles about 4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, acetate (ester), hydrochloride 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: 96.3%

1-Methyl-4-vinylethynylpiperidin-4-ol (101126-20-9) + acetyl chloride (75-36-5) → 1-Methyl-4-vinylethynyl-4-acetoxypiperidine hydrochloride (106010-29-1)

Guidance literature:

With acetic anhydride; at 90 - 95 ℃; for 1h;

DOI:10.1007/BF01148632

Reference yield:

1-Methyl-4-piperidone (1445-73-4) → 1-Methyl-4-vinylethynyl-4-acetoxypiperidine hydrochloride (106010-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75.7 percent / KOH / benzene / 1 h / Ambient temperature

2: 96.3 percent / Ac₂O / 1 h / 90 - 95 °C

With potassium hydroxide; acetic anhydride; In benzene;

DOI:10.1007/BF01148632

upstream raw materials:

1-Methyl-4-vinylethynylpiperidin-4-ol

acetyl chloride

1-Methyl-4-piperidone