2-(Chloromethyl)oxazolo[4,5-b]pyridine

Base Information

• Chemical Name: 2-(Chloromethyl)oxazolo[4,5-b]pyridine
• CAS No.: 110704-34-2
• Molecular Formula: C7H5ClN2O
• Molecular Weight: 168.583
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20377504
• Wikidata: Q72454471
• Mol file: 110704-34-2.mol

Synonyms:110704-34-2;2-(Chloromethyl)oxazolo[4,5-b]pyridine;2-(Chloromethyl)[1,3]oxazolo[4,5-b]pyridine;2-(chloromethyl)-[1,3]oxazolo[4,5-b]pyridine;2-(CHLOROMETHYL)-1,3-OXAZOLO[4,5-B]PYRIDINE;2-Chloromethyl-oxazolo[4,5-b]pyridine;Oxazolo[4,5-b]pyridine, 2-(chloromethyl)-;MFCD06659615;SCHEMBL3331863;DTXSID20377504;MUBURDYXGKXMFA-UHFFFAOYSA-N;AKOS005071469;CS-W003326;SY004819;FT-0680756;EN300-124901;9Y-0716;A894860;J-506322;2-(chloromethyl)[1,3]oxazolo[4,5-b]pyridine, AldrichCPR

Chemical Property of 2-(Chloromethyl)oxazolo[4,5-b]pyridine

Chemical Property:

• Vapor Pressure: 0.0307mmHg at 25°C
• Melting Point: 115-118 °C
• Boiling Point: 252.5oC at 760 mmHg
• PKA: -0.67±0.50(Predicted)
• Flash Point: 106.5oC
• PSA: 38.92000
• Density: 1.399g/cm3
• LogP: 1.96160
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.0090405
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2-(Chloromethyl)[1,3]oxazolo[4,5-b]pyridine 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)N=C(O2)CCl

Technology Process of 2-(Chloromethyl)oxazolo[4,5-b]pyridine

There total 5 articles about 2-(Chloromethyl)oxazolo[4,5-b]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: 58.0%

2-methyloxazolo<4,5-b>pyridine (86467-39-2) → 2-(chloromethyl)[1,3]oxazolo[4,5-b]pyridine (110704-34-2) + 2-dichloromethyloxazolo<4,5-b>pyridine + 2-trichloromethyloxazolo<4,5-b>pyridine

Guidance literature:

With trichloroisocyanuric acid; In 1,2-dichloro-ethane; for 3h; Heating;

DOI:10.3987/COM-94-6954

Reference yield: 35.0%

2-amino-3-hydroxypyridine (16867-03-1) + 2-chloro-1,1,1-triethoxyethane (51076-95-0) → 2-(chloromethyl)[1,3]oxazolo[4,5-b]pyridine (110704-34-2)

Guidance literature:

In diethylene glycol dimethyl ether; at 60 ℃; for 4h;

Reference yield:

2-amino-3-hydroxypyridine (16867-03-1) + 2-chloro-1,1,1-trimethoxyethane (74974-54-2) → 2-(chloromethyl)[1,3]oxazolo[4,5-b]pyridine (110704-34-2)

Guidance literature:

2-amino-3-hydroxypyridine; 2-chloro-1,1,1-trimethoxyethane; In diethylene glycol dimethyl ether; at 80 ℃; for 6h;

With toluene-4-sulfonic acid; In diethylene glycol dimethyl ether; at 80 ℃; for 48h;

upstream raw materials:

2-amino-3-hydroxypyridine

2-chloro-1,1,1-triethoxyethane

2-methyloxazolo<4,5-b>pyridine

2-chloro-1,1,1-trimethoxyethane

Downstream raw materials:

(R)-1-oxazolo[4,5-b]pyridin-2-ylmethyl-3-(1-phenylcycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane chloride

5-Ethyl-6-methyl-3-[(oxazolo[4,5-b]pyridin-2-ylmethyl)-amino]-1H-pyridin-2-one

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