3,5-Dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide

Base Information

• Chemical Name: 3,5-Dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide
• CAS No.: 19971-12-1
• Molecular Formula: C9H15 Br2 N O . Br H
• Molecular Weight: 393.944
• Hs Code.: 2933399090
• Mol file: 19971-12-1.mol

Synonyms:3,5-dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide;3,5-Dibromo-2,2,6,6-tetramethylpiperidin-4-one, Hydrobromide Technical Grade 90per cent

Chemical Property of 3,5-Dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Boiling Point: 297.9°C at 760 mmHg
• Flash Point: 134°C
• PSA: 29.10000
• LogP: 3.52980
• Solubility.: DMSO, Water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 392.87615
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dibromo-2,2,6,6-tetramethylpiperidin-4-one,HydrobromideTechnicalGrade90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(=O)C(C([NH2+]1)(C)C)Br)Br)C.[Br-]
• Uses: 3,5-dibromo-2,2,6,6-tetramethyl-4-piperidone hydrobromide can be used as a useful synthetic intermediate.

Technology Process of 3,5-Dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide

There total 2 articles about 3,5-Dibromo-2,2,6,6-tetramethylpiperidin-1-ium-4-one;bromide 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: 95.0%

2,2,6,6-Tetramethyl-4-piperidone (826-36-8) → 3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide (19971-12-1)

Guidance literature:

2,2,6,6-Tetramethyl-4-piperidone; With acetic acid; at 20 ℃;

With bromine; at 20 ℃; for 16h;

DOI:10.1021/acs.orglett.9b04216

Reference yield:

→ 3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide (19971-12-1)

Guidance literature:

at 80 - 90 ℃;

Reference yield: 80.0%

3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide (19971-12-1) → 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide (19805-75-5)

Guidance literature:

With ammonium hydroxide; for 2h;

DOI:10.1002/recl.19951140906

upstream raw materials:

2,2,6,6-Tetramethyl-4-piperidone

Downstream raw materials:

2,2,5,5-tetramethyl-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide

2-(2,2,5,5-tetramethyl-2,5-dihydro-3-pyrroline-3-carbonylamino)-N-(2,6-dimethyl-phenyl)-acetamide

2-(2,2,5,5-tetramethyl-2,5-dihydro-3-pyrroline-3-carbonylamino)-N-(2,6-dimethylphenyl)-propionamide

2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid [(2,6-dimethyl-phenylcarbamoyl)-phenyl-methyl]-amide

Refernces

• 1、 Carocci, Alessia,Roselli, Mariagrazia,Budriesi, Roberta,Micucci, Matteo,Desaphy, Jean-Fran?ois,Altamura, Concetta,Cavalluzzi, Maria Maddalena,Toma, Maddalena,Passeri, Giovanna Ilaria,Milani, Gualtiero,Lovece, Angelo,Catalano, Alessia,Bruno, Claudio,De Palma, Annalisa,Corbo, Filomena,Franchini, Carlo,Habtemariam, Solomon,Lentini, Giovanni. "Synthesis and Evaluation of Voltage-Gated Sodium Channel Blocking Pyrroline Derivatives Endowed with Both Antiarrhythmic and Antioxidant Activities". . p. 578 - 588. Retrieved 2020/10/30.
• 2、 -. "STABILIZER COMPOUND, LIQUID CRYSTAL COMPOSITION, AND DISPLAY ELEMENT". Paragraph 0082; 0083. . Retrieved 2018/08/30.