4-(Bromomethyl)-2,5-diphenyloxazole

Base Information

• Chemical Name: 4-(Bromomethyl)-2,5-diphenyloxazole
• CAS No.: 133130-86-6
• Molecular Formula: C16H12BrNO
• Molecular Weight: 314.181
• DSSTox Substance ID: DTXSID60571221
• Nikkaji Number: J1.720.083F
• Wikidata: Q82459251
• Mol file: 133130-86-6.mol

Synonyms:4-(Bromomethyl)-2,5-diphenyloxazole;133130-86-6;4-(Bromomethyl)-2,5-diphenyl-1,3-oxazole;SCHEMBL7070626;DTXSID60571221;A909044

Chemical Property of 4-(Bromomethyl)-2,5-diphenyloxazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.01023
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(O2)C3=CC=CC=C3)CBr

Technology Process of 4-(Bromomethyl)-2,5-diphenyloxazole

There total 4 articles about 4-(Bromomethyl)-2,5-diphenyloxazole 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: 100.0%

2,5-diphenyl-4-hydroxymethyloxazole (2549-35-1) → 4-bromomethyl-2,5-diphenyloxazole (133130-86-6)

Guidance literature:

With phosphorus tribromide; In dichloromethane;

DOI:10.1016/S0040-4039(97)10435-X

Reference yield:

ethyl 2,5-diphenyloxazole-4-carboxylate (93729-29-4) → 4-bromomethyl-2,5-diphenyloxazole (133130-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / LiBH₄; LiEt₃BH / tetrahydrofuran

2: 98 percent / PBr₃ / CH₂Cl₂

With lithium borohydride; phosphorus tribromide; lithium triethylborohydride; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2004.01.034

Reference yield:

2,5-diphenyloxazole (92-71-7) → 4-bromomethyl-2,5-diphenyloxazole (133130-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sec-BuLi; TMP / tetrahydrofuran / -75 - 0 °C

1.2: 10 h / 20 °C

1.3: 33 percent / NaBH₄ / methanol

2.1: 98 percent / PBr₃ / CH₂Cl₂

With sec.-butyllithium; phosphorus tribromide; thymidine 5'-phosphate; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2004.01.034

upstream raw materials:

4-methyl-2,5-diphenyloxazole

2,5-diphenyl-4-hydroxymethyloxazole

2,5-diphenyloxazole

ethyl 2,5-diphenyloxazole-4-carboxylate

Downstream raw materials:

4-Azidomethyl-2,5-diphenyl-oxazole

3-[4-(2,5-diphenyl-oxazol-4-ylmethoxy)-phenyl]-propan-1-ol

C-(2,5-Diphenyl-oxazol-4-yl)-methylamine