2-(tert-Butoxy)pyridine

Base Information

• Chemical Name: 2-(tert-Butoxy)pyridine
• CAS No.: 83766-88-5
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2933399090
• European Community (EC) Number: 834-679-7
• Nikkaji Number: J1.864.950K
• Mol file: 83766-88-5.mol

Synonyms:2-(tert-Butoxy)pyridine;83766-88-5;2-tert-butoxypyridine;MFCD00234567;2-[(2-methylpropan-2-yl)oxy]pyridine;SCHEMBL2732179;CS1089;AKOS024462379;DS-7348;SB52458;SY035438;B5575;CS-0028779

Chemical Property of 2-(tert-Butoxy)pyridine

Chemical Property:

• Refractive Index: 1.4840 to 1.4880
• Boiling Point: 88°C/100mmHg(lit.)
• PKA: 4.25±0.12(Predicted)
• PSA: 22.12000
• Density: 0.967±0.06 g/cm3(Predicted)
• LogP: 2.25890
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-tert-Butoxypyridine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=CC=N1

Technology Process of 2-(tert-Butoxy)pyridine

There total 3 articles about 2-(tert-Butoxy)pyridine 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: 82.0%

2-fluoropyridine (372-48-5) + potassium tert-butylate (865-47-4) → 2-tert-butoxypyridine (83766-88-5)

Guidance literature:

In tert-butyl alcohol; at 140 ℃; for 16h;

Reference yield: 54.0%

2-chloropyridine (109-09-1) + potassium tert-butylate (865-47-4) → 2-tert-butoxypyridine (83766-88-5)

Guidance literature:

With 18-crown-6 ether; In toluene; at 110 ℃; for 15h;

DOI:10.1016/j.tet.2018.05.050

Reference yield:

pyridine (110-86-1) → 2-fluoropyridine (372-48-5) + 2-tert-butoxypyridine (83766-88-5) + pyridin-2-yl sulfurofluoridate (127827-58-1)

Guidance literature:

With caesium fluoroxysulphate; In tert-butyl alcohol; at 50 ℃; for 4h; Product distribution;

DOI:10.1016/S0040-4039(00)94626-4

upstream raw materials:

pyridine

2-fluoropyridine

potassium tert-butylate

2-chloropyridine

Downstream raw materials:

(R)-tert-butyl 2-(tert-butoxycarbonylamino) -3-(4-hydroxyphenyl)propanoate

tert-butyl furan-2-carboxylate

Diphenylessiggsaeure-tert-butylester

tert-butyl 2,4,6-trimethylbenzoate

Refernces

• 1、 La, Minh Thanh,Kim, Hee-Kwon. "A fast and practical synthesis of tert-butyl esters from 2-tert-butoxypyridine using boron trifluoride·diethyl etherate under mild conditions". . p. 3748 - 3754. Retrieved 2018/05/28.
• 2、 Stavber, Stojan,Zupan, Marko. "Reactions of Caesium Fluoroxysulphate with Pyridine". . p. 775 - 776. Retrieved 2007/10/02.