Pharmakon1600-01503383

Base Information

• Chemical Name: Pharmakon1600-01503383
• CAS No.: 79-55-0
• Molecular Formula: C10H21 N
• Molecular Weight: 155.283
• Hs Code.: 29333999
• NSC Number: 758448
• ChEMBL ID: CHEMBL1256139
• Mol file: 79-55-0.mol

Synonyms:SR-01000838868;NCGC00016193-02;Prestwick_180;Spectrum_001723;SpecPlus_000891;Prestwick0_000683;Prestwick1_000683;Prestwick2_000683;Prestwick3_000683;Spectrum2_001555;Spectrum3_000744;Spectrum4_001083;Spectrum5_001804;BSPBio_000805;BSPBio_002328;KBioGR_001466;KBioSS_002203;MLS002153953;DivK1c_006987;SPECTRUM1503383;SPBio_001430;SPBio_002726;BPBio1_000887;CHEMBL1256139;SCHEMBL18187410;KBio1_001931;KBio2_002203;KBio2_004771;KBio2_007339;KBio3_001548;HMS1570I07;HMS1922C04;HMS2097I07;HMS2230D09;HMS3373N18;HMS3714I07;Pharmakon1600-01503383;CCG-39333;NSC758448;NCGC00016193-03;NCGC00095046-01;NCGC00095046-02;SMR001233292;SR-01000838868-2;SR-01000838868-3

Chemical Property of Pharmakon1600-01503383

Chemical Property:

• Appearance/Colour: colorless - light yellow Clear liquid
• Vapor Pressure: 4.52mmHg at 25°C
• Melting Point: 137-141ºC
• Refractive Index: n20/D 1.460(lit.)
• Boiling Point: 147 °C at 760 mmHg
• PKA: 11.25(at 30℃)
• Flash Point: 50 °C
• PSA: 3.24000
• Density: 0.799 g/cm³
• LogP: 2.59720
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: Soluble in toluene, dimethylformamide.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 305.18383758
• Heavy Atom Count: 21
• Complexity: 265

Purity/Quality:

98% ^*data from raw suppliers

1,2,2,6,6-Pentamethylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCCC(N1C)(C)C)C.C(C(C(=O)O)O)(C(=O)O)O
• Uses: ganglionic blocker, antihypertensive 1,2,2,6,6-Pentamethylpiperidine is used in the synthesis of BN-fused polycyclic aromatic molecules for potential application to electronic materials and apparatus. In addition, it is a catalyst for th e chemoselective silylation of benzylic alcohols. Pharmacological evaluation of the antagonism of nicotine's central effects by mecamylamine and pempidine where pempidine was found to increase the ED50 of nicotine (0.73 mg/kg) for depression of spontaneous activity in a dose-related manner. At a dose of 3 mg/kg, pempidine increased nicotine's ED50 4.7-fold.

Technology Process of Pharmakon1600-01503383

There total 17 articles about Pharmakon1600-01503383 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: 99.0%

2,2,6,6-tetramethyl-piperidine (768-66-1) + carbon dioxide (124-38-9,18923-20-1) → 1,2,2,6,6-pentamethylpiperidine (79-55-0)

Guidance literature:

With phenylsilane; In N,N-dimethyl acetamide; at 60 ℃; for 2h; Sealed tube;

DOI:10.1039/c9cc06659d

Reference yield: 83.0%

→ 1,2,2,6,6-pentamethylpiperidine (79-55-0)

Guidance literature:

With hydrogen; In hexane; at 170 ℃; for 24h; under 52505.3 Torr; Autoclave;

Reference yield: 78.0%

2,2,6,6-tetramethylpiperidine-1-carboxaldehyde (54262-97-4) → 1,2,2,6,6-pentamethylpiperidine (79-55-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.5h; Ambient temperature;

DOI:10.1071/CH9900447

upstream raw materials:

2,2,6,6-tetramethyl-piperidine

formaldehyd

methyl iodide

2,2,6,6-tetramethylpiperidine-1-carboxaldehyde

Downstream raw materials:

2,2,6,6-tetramethyl-piperidine

9-hydroxy-9-(hydroxymethyl)anthrone

TEMPO

2,2,6,6-tetramethylpiperidine-1-carboxaldehyde

Refernces

• 1、 Zhang, Yanmeng,Zhang, He,Gao, Ke. "Borane-Trimethylamine Complex as a Reducing Agent for Selective Methylation and Formylation of Amines with CO2". supporting information. p. 8282 - 8286. Retrieved 2021/10/25.
• 2、 Zhang, Xu,Jiang, Yilin,Fei, Honghan. "UiO-type metal-organic frameworks with NHC or metal-NHC functionalities for: N-methylation using CO2 as the carbon source". supporting information. p. 11928 - 11931. Retrieved 2019/10/11.