2-(Chloromethyl)-5-nitro-1,3-benzoxazole

Base Information

• Chemical Name: 2-(Chloromethyl)-5-nitro-1,3-benzoxazole
• CAS No.: 119198-10-6
• Molecular Formula: C8H5ClN2O3
• Molecular Weight: 212.592
• DSSTox Substance ID: DTXSID40377344
• Wikidata: Q82166529
• Mol file: 119198-10-6.mol

Synonyms:2-(chloromethyl)-5-nitro-1,3-benzoxazole;119198-10-6;2-(CHLOROMETHYL)-5-NITROBENZO[D]OXAZOLE;2-(chloromethyl)-5-nitrobenzoxazole;MFCD01596292;SCHEMBL2353937;2-chloromethyl-5-nitrobenzoxazole;DTXSID40377344;AQZQGQKSWZXRCF-UHFFFAOYSA-N;AC3147;AKOS005070920;AB09287;SY130177;CS-0307950;EN300-102161;6X-0702;A926912;F8889-9264

Chemical Property of 2-(Chloromethyl)-5-nitro-1,3-benzoxazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.9988697
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)CCl

Technology Process of 2-(Chloromethyl)-5-nitro-1,3-benzoxazole

There total 1 articles about 2-(Chloromethyl)-5-nitro-1,3-benzoxazole 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: 84.0%

2-chloro-1,1,1-triethoxyethane (51076-95-0) + 2-hydroxy-5-nitroaniline (99-57-0) → 2-chloromethyl-5-nitro-benzoxazole (119198-10-6)

Guidance literature:

In ethanol;

Reference yield: 63.0%

1-(4,4-difluorocyclohexyl)-6-thioxo-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one + 2-chloromethyl-5-nitro-benzoxazole (119198-10-6) → 1-(4,4-difluorocyclohexyl)-6-(((5-nitrobenzo[d]oxazol-2-yl)methyl)thio)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Guidance literature:

With sodium hydroxide; In methanol; for 12h; Reflux;

Reference yield: 41.0%

1-phenyl-6-thioxo-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (156718-77-3) + 2-chloromethyl-5-nitro-benzoxazole (119198-10-6) → 6-(((5-nitrobenzo[d]oxazol-2-yl)methyl)thio)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Guidance literature:

With sodium hydroxide; In methanol; for 12h; Reflux;

upstream raw materials:

2-chloro-1,1,1-triethoxyethane

2-hydroxy-5-nitroaniline

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