1-Acetonylpyridinium Chloride

Base Information

• Chemical Name: 1-Acetonylpyridinium Chloride
• CAS No.: 42508-60-1
• Molecular Formula: C8H10NO+
• Molecular Weight: 171.626
• Hs Code.: 2933399090
• European Community (EC) Number: 670-265-0
• NSC Number: 10889
• DSSTox Substance ID: DTXSID40370133
• Mol file: 42508-60-1.mol

Synonyms:1-Acetonylpyridinium Chloride;42508-60-1;N-Acetonylpyridinium Chloride;1-Acetonylpyridiniumchloride;1-(2-oxopropyl)pyridinium chloride;1-pyridin-1-ium-1-ylpropan-2-one;chloride;1-(2-oxopropyl)pyridin-1-ium chloride;SCHEMBL420325;DTXSID40370133;JHYYWKUENNZTMD-UHFFFAOYSA-M;NSC10889;MFCD00031949;NSC-10889;AKOS015833120;A0828;CS-0179386;FT-0639794;D88335

Chemical Property of 1-Acetonylpyridinium Chloride

Chemical Property:

• Melting Point: 207oC
• Refractive Index: 1.5430 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 20.95000
• Density: g/cm³
• LogP: -2.43290
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.0450916
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

98% ^*data from raw suppliers

1-Pyridin-1-ium-1-ylpropan-2-oneChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C[N+]1=CC=CC=C1.[Cl-]
• Uses: N-Acetonylpyridinium chloride is used as a pharmaceutical intermediate.

Technology Process of 1-Acetonylpyridinium Chloride

There total 1 articles about 1-Acetonylpyridinium Chloride 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:

pyridine (110-86-1) + chloroacetone (78-95-5) → 1-(2-oxopropyl)pyridinium chloride (42508-60-1)

Guidance literature:

DOI:10.1002/ardp.18942320304

Reference yield: 100.0%

C26H32O6Si + 1-(2-oxopropyl)pyridinium chloride (42508-60-1) → C29H36O7Si

Guidance literature:

C₂₆H₃₂O₆Si; 1-(2-oxopropyl)pyridinium chloride; In acetonitrile; at 60 ℃; for 0.5h; Inert atmosphere;

With triethylamine; In acetonitrile; at 20 ℃; Inert atmosphere;

DOI:10.1039/c9ob01221d

Reference yield: 95.0%

1H-indene-1,3(2H)-dione (606-23-5) + 1-(2-oxopropyl)pyridinium chloride (42508-60-1) + 4-chlorobenzaldehyde (104-88-1) → 2-acetyl-3-(4-chlorophenyl)-spiro[cyclopropane-1,2’-indene]-1,3’-dione

Guidance literature:

With triethylamine; In acetonitrile; for 1.5h; stereoselective reaction; Reflux;

DOI:10.3184/174751917X15069782896007

upstream raw materials:

pyridine

chloroacetone

Downstream raw materials:

pyridine

4-chloro-4''-methoxy-[1,1':3',1''-terphenyl]-5'-ol

2-(3'-hydroxyphenyl)thiophene

3-(benzofuran-2-yl)-phenol

Refernces

• 1、 Dreser. "-". . p. 183. Retrieved 1894.
• 2、 B?cu, Elena,Dubois, Jo?lle,Farce, Amaury,Ghinet, Alina,Moise, Iuliana-Monica. "Indolizine-phenothiazine hybrids as the first dual inhibitors of tubulin polymerization and farnesyltransferase with synergistic antitumor activity". . . Retrieved 2020/09/04.