5-Chloro-2-(chloromethyl)-1,3-benzoxazole

Base Information

• Chemical Name: 5-Chloro-2-(chloromethyl)-1,3-benzoxazole
• CAS No.: 63842-22-8
• Molecular Formula: C8H5Cl2NO
• Molecular Weight: 202.04
• Hs Code.: 2934999090
• NSC Number: 715266
• DSSTox Substance ID: DTXSID60328015
• Wikidata: Q82090199
• ChEMBL ID: CHEMBL1977495
• Mol file: 63842-22-8.mol

Synonyms:5-chloro-2-(chloromethyl)-1,3-benzoxazole;63842-22-8;5-Chloro-2-(chloromethyl)benzo[d]oxazole;5-chloro-2-(chloromethyl)benzoxazole;MFCD05663796;Benzoxazole, 5-chloro-2-(chloromethyl)-;NSC715266;SCHEMBL4285418;CHEMBL1977495;DTXSID60328015;5-Chloro-2-chloromethylbenzooxazole;5-Chloro-2-chloromethyl-benzooxazole;AC6524;STK502831;AKOS000164142;AB21912;NSC-715266;NCI60_039809;SY081652;5-chloro2-(chloromethyl)-1,3-benzoxazole;BB 0240664;FT-0678938;6X-0711;A868014;J-517278;5-chloro-2-(chloromethyl)-1,3-benzoxazole, AldrichCPR

Chemical Property of 5-Chloro-2-(chloromethyl)-1,3-benzoxazole

Chemical Property:

• Vapor Pressure: 0.00768mmHg at 25°C
• Melting Point: 52-55oC
• Boiling Point: 277.3°Cat760mmHg
• Flash Point: 121.5°C
• PSA: 26.03000
• Density: 1.451g/cm³
• LogP: 3.22000
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 200.9748192
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-(chloromethyl)-1,3-benzoxazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(O2)CCl

Technology Process of 5-Chloro-2-(chloromethyl)-1,3-benzoxazole

There total 4 articles about 5-Chloro-2-(chloromethyl)-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: 98.0%

2-chloro-N-(5-chloro-2-hydroxyphenyl)acetamide (35588-38-6) → 5-chloro-2-(chloromethyl)-1,3-benzoxazole (63842-22-8)

Guidance literature:

With toluene-4-sulfonic acid; In phenol; for 3h; Reflux;

Reference yield:

2-chloro-1,1,1-triethoxyethane (51076-95-0) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-(chloromethyl)-1,3-benzoxazole (63842-22-8)

Guidance literature:

In ethanol;

DOI:10.1021/jm00081a006

Reference yield:

2-chloro-1,1,1-trimethoxyethane (74974-54-2) + 2-hydroxy-5-chloro-aniline (95-85-2) → 5-chloro-2-(chloromethyl)-1,3-benzoxazole (63842-22-8)

Guidance literature:

With acetic acid; In toluene; for 17h; Reflux;

upstream raw materials:

2-chloro-1,1,1-triethoxyethane

2-hydroxy-5-chloro-aniline

2-chloro-1,1,1-trimethoxyethane

2-chloro-N-(5-chloro-2-hydroxyphenyl)acetamide

Downstream raw materials:

(R)-1-(5-chloro-benzooxazol-2-ylmethyl)-3-((S)-2-phenyl-2-piperidin-1-yl-propionyloxy)-1-azonia-bicyclo[2.2.2]octane chloride

C₁₉H₁₈ClN₅OS

Refernces

• 1、 -. "1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS". Page/Page column 37-38. . Retrieved 2010/01/12.
• 2、 -. "Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein". . . Retrieved 2008/06/13.