2-(3,4-Dimethoxyphenyl)-1,3-benzoxazole

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)-1,3-benzoxazole
• CAS No.: 92552-99-3
• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.273
• DSSTox Substance ID: DTXSID001297674
• Nikkaji Number: J989.590F
• ChEMBL ID: CHEMBL254216

Synonyms:2-(3,4-dimethoxyphenyl)-1,3-benzoxazole;92552-99-3;2-(3,4-Dimethoxyphenyl)benzoxazole;2-(3,4-Dimethoxy-phenyl)-benzooxazole;Oprea1_664690;MLS001206821;CHEMBL254216;DTXSID001297674;STK044953;AKOS005383962;2-(3,4-dimethoxyphenyl)benzo[d]oxazole;SMR000514182

Chemical Property of 2-(3,4-Dimethoxyphenyl)-1,3-benzoxazole

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)OC

Technology Process of 2-(3,4-Dimethoxyphenyl)-1,3-benzoxazole

There total 19 articles about 2-(3,4-Dimethoxyphenyl)-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%

3,4-dimethoxy-benzaldehyde (120-14-9) + 2-amino-phenol (95-55-6) → 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole (92552-99-3)

Guidance literature:

With ISO-PECH polyamine catalyst; In methanol; at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1002/jhet.4046

Reference yield: 94.0%

benzoxazole (273-53-0,29791-96-6) + 3,4-dimethoxyphenyl methanesulfonate (101959-15-3) → 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole (92552-99-3)

Guidance literature:

With palladium diacetate; caesium carbonate; cesium pivalate; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 120 ℃;

DOI:10.1021/cs500587b

Reference yield: 87.0%

2-amino-phenol (95-55-6) + 3,4-dimethoxybenzoic acid chloride (3535-37-3) → 2-(3,4-dimethoxyphenyl)-1,3-benzoxazole (92552-99-3)

Guidance literature:

With Al-Cu-Cl^- hydrotalcite; at 60 ℃; for 1.5h; Large scale;

DOI:10.1016/j.catcom.2017.01.005

upstream raw materials:

Veratric acid

2-amino-phenol

N-(2-chlorophenyl)-3,4-dimethoxybenzamide

N-(2-bromophenyl)-3,4-dimethoxybenzamide

Downstream raw materials:

2-[2-phenyl-4,5-dimethoxyphenyl]-1,3-benzoxazole

2-[2-(4-methylphenyl)-4,5-dimethoxyphenyl]-1,3-benzoxazole

2-(benzoxazol-2-yl)-4,5-dimethoxyphenyl acetate

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