3-Methoxy-4-(oxazol-5-yl)aniline

Base Information

• Chemical Name: 3-Methoxy-4-(oxazol-5-yl)aniline
• CAS No.: 198821-79-3
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL45870
• DSSTox Substance ID: DTXSID80572997
• Nikkaji Number: J1.774.922F
• Wikidata: Q82461548
• Mol file: 198821-79-3.mol

Synonyms:3-methoxy-4-(oxazol-5-yl)aniline;198821-79-3;3-METHOXY-4-(1,3-OXAZOL-5-YL)ANILINE;Benzenamine, 3-methoxy-4-(5-oxazolyl)-;3-methoxy-4-(5-oxazolyl)aniline;CHEMBL45870;5-(4-amino-2-methoxyphenyl)oxazole;SCHEMBL1353846;DTXSID80572997;KYCMMXMEXWSPCV-UHFFFAOYSA-N;3-methoxy-4-(oxazol-5-yl) aniline;BDBM50127715;MFCD03844645;3-Methoxy-4-oxazol-5-yl-phenylamine;AKOS006278384;3-methoxy-4-(oxazol-5-yl)benzenamine;CS-W005501;DS-2798;PD181446;O11029

Chemical Property of 3-Methoxy-4-(oxazol-5-yl)aniline

Chemical Property:

• Boiling Point: 318.7±27.0 °C(Predicted)
• PKA: 3.03±0.10(Predicted)
• PSA: 61.28000
• Density: 1.211±0.06 g/cm3(Predicted)
• LogP: 2.51360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

3-Methoxy-4-(oxazol-5-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)N)C2=CN=CO2

Technology Process of 3-Methoxy-4-(oxazol-5-yl)aniline

There total 6 articles about 3-Methoxy-4-(oxazol-5-yl)aniline 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: 97.0%

5-(2-methoxy-4-nitrophenyl)-oxazole (198821-78-2) → 3-methoxy-4-(1,3-oxazol-5-yl)aniline (198821-79-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; ethanol; Inert atmosphere;

Reference yield: 95.0%

→ 3-methoxy-4-(1,3-oxazol-5-yl)aniline (198821-79-3)

Guidance literature:

Reference yield:

4-nitro-2-methoxybenzaldehyde (136507-15-8) → 3-methoxy-4-(1,3-oxazol-5-yl)aniline (198821-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / K₂CO₃ / methanol / Heating

2: 95 percent / H₂ / Pd/C / ethanol / 40 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; ethanol;

DOI:10.1016/S0960-894X(02)00601-7

upstream raw materials:

5-(2-methoxy-4-nitrophenyl)-oxazole

(2-methoxy-4-nitrophenyl)methylene diacetate

2-methyl-5-nitroanisole

4-nitro-2-methoxybenzaldehyde

Downstream raw materials:

[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]oxoacetic Acid Ethyl Ester

3-[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]-3-oxopropanoic Acid Ethyl Ester

N-(3-methoxy-4-oxazol-5-yl-phenyl)-formamide

(4,6-dichloro-[1,3,5]triazin-2-yl)-(3-methoxy-4-oxazol-5-yl-phenyl)-amine