2-tert-Butoxy-6-chloropyridine

Base Information

• Chemical Name: 2-tert-Butoxy-6-chloropyridine
• CAS No.: 547740-43-2
• Molecular Formula: C9H12ClNO
• Molecular Weight: 185.653
• Hs Code.: 2933399090
• European Community (EC) Number: 624-982-0
• DSSTox Substance ID: DTXSID00475193
• Mol file: 547740-43-2.mol

Synonyms:2-tert-Butoxy-6-chloropyridine;547740-43-2;2-(TERT-BUTOXY)-6-CHLOROPYRIDINE;2-chloro-6-[(2-methylpropan-2-yl)oxy]pyridine;Pyridine, 2-chloro-6-(1,1-dimethylethoxy)-;SCHEMBL7898210;DTXSID00475193;XWA74043;MFCD08705263;AKOS012896398;2-tert-Butoxy-6-chloropyridine, 97%;FT-0770128;A853242

Chemical Property of 2-tert-Butoxy-6-chloropyridine

Chemical Property:

• Vapor Pressure: 0.088mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 232.747°C at 760 mmHg
• PKA: 0.56±0.10(Predicted)
• Flash Point: 79 °C
• PSA: 22.12000
• Density: 1.076 g/mL at 25 °C
• LogP: 2.91230
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2-tert-Butoxy-6-chloropyridine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=NC(=CC=C1)Cl

Technology Process of 2-tert-Butoxy-6-chloropyridine

There total 2 articles about 2-tert-Butoxy-6-chloropyridine 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: 96.0%

2,6-dichloropyridine (2402-78-0) + potassium tert-butylate (865-47-4) → 2-(tert-butoxy)-6-chloropyridine (547740-43-2)

Guidance literature:

In toluene; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ja108639e

Reference yield:

2,6-dichloropyridine (2402-78-0) → 2-(tert-butoxy)-6-chloropyridine (547740-43-2)

Guidance literature:

With potassium tert-butylate; In toluene; at 80 ℃; Inert atmosphere;

Reference yield: 99.0%

2-(tert-butoxy)-6-chloropyridine (547740-43-2) + phenylboronic acid (98-80-6) → 2-(tert-butoxy)-6-phenylpyridine (1184955-09-6)

Guidance literature:

2-(tert-butoxy)-6-chloropyridine; With palladium diacetate; lithium tert-butoxide; catacxium A; In 1,4-dioxane; at 20 ℃; for 0.0833333h; Inert atmosphere; Sealed tube;

phenylboronic acid; In 1,4-dioxane; water; at 100 ℃; for 18h; Inert atmosphere; Sealed tube;

DOI:10.1039/c7cc00997f

upstream raw materials:

2,6-dichloropyridine

potassium tert-butylate

Downstream raw materials:

2-tert-butoxy-6-diphenylphosphanyl-pyridine

(2-oxo-1,2-dihydro-6-pyridyl)diphenylphosphine

2-tert-butoxy-6-cyclohexylpyridine

2-(tert-butoxy)-6-phenylpyridine