2-(Chloromethyl)-6-nitro-1,3-benzoxazole

Base Information

• Chemical Name: 2-(Chloromethyl)-6-nitro-1,3-benzoxazole
• CAS No.: 221638-74-0
• Molecular Formula: C₈H₅ClN₂O₃
• Molecular Weight: 212.592
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00377345
• Nikkaji Number: J3.548.214H
• Wikidata: Q82166530
• Mol file: 221638-74-0.mol

Synonyms:2-(chloromethyl)-6-nitro-1,3-benzoxazole;221638-74-0;2-(chloromethyl)-6-nitrobenzoxazole;2-(CHLOROMETHYL)-6-NITROBENZO[D]OXAZOLE;2-chloromethyl-6-nitrobenzoxazole;MFCD00775454;SCHEMBL4268370;DTXSID00377345;LPTHKRDEKSFWAO-UHFFFAOYSA-N;WIA63874;AC5637;AKOS005070921;AB07079;SY130178;J3.548.214H;6X-0703;A911075

Chemical Property of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole

Chemical Property:

• Melting Point: 69-70°C
• 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

2-(Chloromethyl)-6-nitro-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)CCl

Technology Process of 2-(Chloromethyl)-6-nitro-1,3-benzoxazole

There total 3 articles about 2-(Chloromethyl)-6-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: 86.0%

2-chloro-1,1,1-trimethoxyethane (74974-54-2) + 2-hydroxy-5-nitroaniline (99-57-0) → 2-(chloromethyl)-6-nitrobenzo[d]oxazole (221638-74-0)

Guidance literature:

In ethanol; at 80 ℃; for 3h;

Reference yield: 70.2%

chloroacetyl chloride (79-04-9) + 5-Nitro-2-aminophenol (121-88-0) → 2-(chloromethyl)-6-nitrobenzo[d]oxazole (221638-74-0)

Guidance literature:

chloroacetyl chloride; 5-Nitro-2-aminophenol; With pyridine; In chlorobenzene; at 0 - 20 ℃; for 1h;

With toluene-4-sulfonic acid; In chlorobenzene; for 8h; Reflux;

DOI:10.1016/j.ejmech.2017.08.031

Reference yield:

methyl 2-chloroacetimidate hydrochloride (70737-12-1) + 5-Nitro-2-aminophenol (121-88-0) → 2-(chloromethyl)-6-nitrobenzo[d]oxazole (221638-74-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 72h; Heating / reflux;

upstream raw materials:

2-chloro-1,1,1-trimethoxyethane

2-hydroxy-5-nitroaniline

methyl 2-chloroacetimidate hydrochloride

5-Nitro-2-aminophenol

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