2-Methylenequinuclidin-3-one hydrochloride

Base Information

• Chemical Name: 2-Methylenequinuclidin-3-one hydrochloride
• CAS No.: 5832-54-2
• Molecular Formula: C8H11 N O . Cl H
• Molecular Weight: 173.642
• European Community (EC) Number: 227-413-0
• UNII: UQX4TGR7ZR
• DSSTox Substance ID: DTXSID70973858
• NSC Number: 93806
• Mol file: 5832-54-2.mol

Synonyms:5832-54-2;2-Methylenequinuclidin-3-one hydrochloride;2-methylene-3-quinuclidinone hydrochloride;UQX4TGR7ZR;SCHEMBL2229287;DTXSID70973858;NSC93806;NSC-93806;AKOS006281014;2-methylene-3-oxoquinuclidine hydrochloride;NS00047652;3-Quinuclidinone, 2-methylene-, hydrochloride;1-Azabicyclo[2.2.2]octan-3-one, 2-methylene-,hydrochloride (1:1);2-Methylidene-1-azabicyclo[2.2.2]octan-3-one--hydrogen chloride (1/1)

Chemical Property of 2-Methylenequinuclidin-3-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Melting Point: 243-244 °C (decomp)
• Boiling Point: 263.6°Cat760mmHg
• Flash Point: 109.2°C
• PSA: 20.31000
• Density: 1.11g/cm³
• LogP: 1.53470
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 173.0607417
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

2-METHYLENEQUINUCLIDIN-3-ONE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=C1C(=O)C2CCN1CC2.Cl

Technology Process of 2-Methylenequinuclidin-3-one hydrochloride

There total 1 articles about 2-Methylenequinuclidin-3-one 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:

→ 2-methylene-3-quinuclidinone hydrochloride (5832-54-2)

Guidance literature:

2-Methylen-chinuclidinon-3, HCl, in Ae., W.-freien Beding.;

Reference yield: 58.0%

2-methylene-3-quinuclidinone hydrochloride (5832-54-2) → 2-Methyl-3-oxoquinuclidine (5291-14-5)

Guidance literature:

With hydrogen; potassium carbonate; platinum(IV) oxide; In methanol; for 1h; under 517.162 - 775.743 Torr;

Reference yield:

2-methylene-3-quinuclidinone hydrochloride (5832-54-2) + thiophenol (108-98-5) → 2-[(phenylthio)methyl]quinuclidin-3-one (865293-21-6)

Guidance literature:

With tetrabutylammomium bromide; triethylamine; In water; at 80 ℃; for 18h;

Downstream raw materials:

2-Methyl-3-oxoquinuclidine

2-[(phenylthio)methyl]quinuclidin-3-one

N-(1-aza-bicyclo[2.2.2]octan-2-ylmethyl)-4-fluorobenzamide trifluoroacetate

N-((1-aza-bicyclo[2.2.2]oct-2-en-2-yl)methyl)-4-fluorobenzamide