Benzoxazole, 5-chloro-2-methoxy-

Base Information

• Chemical Name: Benzoxazole, 5-chloro-2-methoxy-
• CAS No.: 31080-68-9
• Molecular Formula: C8H6 Cl N O2
• Molecular Weight: 183.594
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60185029
• Nikkaji Number: J41.888I
• Wikidata: Q83055975
• Mol file: 31080-68-9.mol

Synonyms:31080-68-9;5-Chloro-2-methoxybenzo[d]oxazole;BENZOXAZOLE, 5-CHLORO-2-METHOXY-;5-Chloro-2-methoxybenzoxazole;5-chloro-2-methoxy-1,3-benzoxazole;BRN 0511483;SCHEMBL13071912;DTXSID60185029;2-methoxy-5-chlorobenzo[d]oxazole;LS-42166

Chemical Property of Benzoxazole, 5-chloro-2-methoxy-

Chemical Property:

• Vapor Pressure: 0.0235mmHg at 25°C
• Boiling Point: 257.3°Cat760mmHg
• Flash Point: 109.4°C
• PSA: 35.26000
• Density: 1.354g/cm³
• LogP: 2.48980
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.0087061
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-methoxybenzo[d]oxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC2=C(O1)C=CC(=C2)Cl

Technology Process of Benzoxazole, 5-chloro-2-methoxy-

There total 3 articles about Benzoxazole, 5-chloro-2-methoxy- 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:

methanol (67-56-1) + 2-(benzylthio)-5-chlorobenzo[d]oxazole (87054-12-4) → dibenzyl sulfide (538-74-9) + 5-chloro-2-methoxybenzoxazole (31080-68-9)

Guidance literature:

With potassium carbonate; for 11h; Yield given. Yields of byproduct given; Ambient temperature;

Reference yield:

methanol (67-56-1) + 5-chlorobenzo[d]oxazole-2(3H)-thione (22876-19-3) → dibenzyl sulfide (538-74-9) + 5-chloro-2-methoxybenzoxazole (31080-68-9)

Guidance literature:

With benzyl chloride; for 26h; Yield given. Yields of byproduct given; Ambient temperature;

Reference yield:

2,5-dichloro-1,3-benzoxazole (3621-81-6) + sodium methylate (124-41-4) → 5-chloro-2-methoxybenzoxazole (31080-68-9)

Guidance literature:

In methanol;

DOI:10.1002/jps.2600530518

upstream raw materials:

2,5-dichloro-1,3-benzoxazole

sodium methylate

methanol

2-(benzylthio)-5-chlorobenzo[d]oxazole