2-Chloro-2-methylnonane

Base Information

• Chemical Name: 2-Chloro-2-methylnonane
• CAS No.: 4325-50-2
• Molecular Formula: C10H21 Cl
• Molecular Weight: 176.7267
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID00195804
• Wikidata: Q83068869
• Mol file: 4325-50-2.mol

Synonyms:2-Chloro-2-methylnonane;4325-50-2;dimethyloctyl chloride;SCHEMBL11373712;DTXSID00195804;MFCD00060781;AKOS017343223;AS-81312;FT-0702942

Chemical Property of 2-Chloro-2-methylnonane

Chemical Property:

• Vapor Pressure: 0.314mmHg at 25°C
• Melting Point: -31.3°C (estimate)
• Refractive Index: 1.4248 (estimate)
• Boiling Point: 208.1°Cat760mmHg
• Flash Point: 72.1°C
• PSA: 0.00000
• Density: 0.861g/cm³
• LogP: 4.36430
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 176.1331784
• Heavy Atom Count: 11
• Complexity: 86.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-2-methylnonane, 90+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(C)(C)Cl
• Uses: It is used in the photoelectron spectroscopy of C60Fn- and C60Fm2 in the gas phase and the generation and characterization of C1-C60F47- and D2-C60F44 in solution.

Technology Process of 2-Chloro-2-methylnonane

There total 2 articles about 2-Chloro-2-methylnonane 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-methylnonan-2-ol (10297-57-1) → 2-chloro-2-methylnonane (4325-50-2)

Guidance literature:

With phosphorus trichloride;

Reference yield:

n-heptylmagnesium bromide (13125-66-1) → 2-chloro-2-methylnonane (4325-50-2)

Guidance literature:

Multi-step reaction with 2 steps

2: phosphorus (III)-chloride

With phosphorus trichloride;

Reference yield: 63.0%

2-phenylpyridine (1008-89-5) + 2-chloro-2-methylnonane (4325-50-2) → 2-[3-(2-methylnonan-2-yl)phenyl]pyridine

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; potassium acetate; potassium carbonate; In 1,4-dioxane; at 120 ℃; for 15h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c5cc03951g

upstream raw materials:

2-methylnonan-2-ol

n-heptylmagnesium bromide