4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole

Base Information

• Chemical Name: 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole
• CAS No.: 68981-86-2
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.218
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20371148
• Nikkaji Number: J901.676G
• Wikidata: Q82158406
• Mol file: 68981-86-2.mol

Synonyms:68981-86-2;4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole;4,4-dimethyl-2-(pyridin-3-yl)-4,5-dihydrooxazole;3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine;4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole;3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)pyridine;4,5-Dihydro-4,4-dimethyl-2-(pyrid-3-yl)oxazole;SCHEMBL2200687;DTXSID20371148;CHEBI:182552;XYABHURTMBEOGW-UHFFFAOYSA-N;MFCD01313220;AKOS000279359;PS-3151;3-(4,4-Dimethyl-2-oxazolinyl)pyridine;4,4-Dimethyl-2-(3-pyridyl)-oxazoline;2-(3-Pyridinyl)-4,4-dimethyl-2-oxazoline;CS-0313918;FT-0613633;F72637;A836301;3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine;4,5-Dihydro-4,4-dimethyl-2-(pyridin-3-yl)-1,3-oxazole

Chemical Property of 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole

Chemical Property:

• Vapor Pressure: 0.00504mmHg at 25°C
• Melting Point: 25-27℃
• Refractive Index: 1.569
• Boiling Point: 284.7 ºC at 760 mmHg
• PKA: 4.13±0.12(Predicted)
• Flash Point: 126 ºC
• PSA: 34.48000
• Density: 1.12 g/cm³
• LogP: 1.07260
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C2=CN=CC=C2)C

Technology Process of 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole

There total 10 articles about 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole 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%

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + 2-Amino-2-methyl-1-propanol (124-68-5) → 3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine (68981-86-2)

Guidance literature:

With Kaolinitic clay; at 165 ℃; for 24h;

DOI:10.1016/S0040-4039(97)10575-5

Reference yield: 79.0%

3-Bromopyridine (626-55-1,163928-56-1) + 4,4-dimethyl-2-oxazoline (30093-99-3) → 3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine (68981-86-2)

Guidance literature:

With C₅₈H₈₀O₄P₂Pd; lithium tert-butoxide; In N,N-dimethyl acetamide; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.201700663

Reference yield: 75.9%

methyl 3-pyridinecarboxylate (93-60-7) + 2-Amino-2-methyl-1-propanol (124-68-5) → 3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine (68981-86-2)

Guidance literature:

for 2.5h; Heating;

upstream raw materials:

nicotinic acid

2-Amino-2-methyl-1-propanol

3-Bromopyridine

4,4-dimethyl-2-oxazoline

Downstream raw materials:

1-methyl-3-<(3-ethyl-3-pentoxy)carbonyl>-4-<2-<(ethoxycarbonyl)methoxy>-3-methoxyphenyl>pyridinium iodide

4-(2-Isobutoxycarbonylmethoxy-3-methoxy-phenyl)-nicotinic acid 1,1-diethyl-propyl ester

3-<(3-ethyl-3-pentoxy)carbonyl>-4-<2-<(ethoxycarbonyl)methoxy>-3-methoxyphenyl>pyridine

4-(3-Methoxy-2-methoxycarbonylmethoxy-phenyl)-nicotinic acid 1,1-diethyl-propyl ester

Refernces

• 1、 Mohammadpoor-Baltork, Iraj,Khosropour, Ahmad Reza,Hojati, Seyedeh Fatemeh. "A novel and chemoselective synthesis of 2-aryloxazolines and bis-oxazolines catalyzed by Bi(III) salts". . p. 2747 - 2750. Retrieved 2007/10/03.
• 2、 Jnaneshwara,Deshpande,Lalithambika,Ravindranathan,Bedekar. "Natural Kaolinitic clay catalyzed conversion of nitriles to 2-oxazolines". . p. 459 - 462. Retrieved 2007/10/03.