2-(4-Bromophenyl)-4,5-dihydrooxazole

Base Information

• Chemical Name: 2-(4-Bromophenyl)-4,5-dihydrooxazole
• CAS No.: 189120-01-2
• Molecular Formula: C9H8 Br N O
• Molecular Weight: 226.073
• DSSTox Substance ID: DTXSID10355199
• Nikkaji Number: J2.422.138E
• Wikidata: Q82133941
• Mol file: 189120-01-2.mol

Synonyms:189120-01-2;2-(4-BROMOPHENYL)-4,5-DIHYDROOXAZOLE;2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole;Oxazole, 2-(4-bromophenyl)-4,5-dihydro-;CBMicro_019883;CCG-5648;SCHEMBL3607804;DTXSID10355199;MB01248;2-(4-Bromophenyl)-4,5-dihydro-oxazole;BIM-0019840.P001;F73746

Chemical Property of 2-(4-Bromophenyl)-4,5-dihydrooxazole

Chemical Property:

• PSA: 21.59000
• LogP: 1.66150
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.97893
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

2-(4-bromophenyl)-4,5-dihydrooxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC=C(C=C2)Br

Technology Process of 2-(4-Bromophenyl)-4,5-dihydrooxazole

There total 17 articles about 2-(4-Bromophenyl)-4,5-dihydrooxazole 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: 95.0%

ethanolamine (141-43-5) + 4-bromo-benzaldehyde (1122-91-4) → 2-(4-bromo-phenyl)-4,5-dihydro-oxazole (189120-01-2)

Guidance literature:

With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; In water; at 20 ℃; for 0.233333h;

DOI:10.1007/BF03246014

Reference yield: 89.0%

4-bromobenzenecarbonitrile (623-00-7) + ethanolamine (141-43-5) → 2-(4-bromo-phenyl)-4,5-dihydro-oxazole (189120-01-2)

Guidance literature:

With sulfur; cobalt(II) nitrate; In neat (no solvent); at 90 ℃; for 0.0666667h; Time; Microwave irradiation;

DOI:10.1016/j.tet.2013.05.132

Reference yield: 89.0%

p-bromothiobanzamide (26197-93-3) + ethanolamine (141-43-5) → 2-(4-bromo-phenyl)-4,5-dihydro-oxazole (189120-01-2)

Guidance literature:

With calcium ferrite; In water; at 50 ℃; for 0.666667h; Reagent/catalyst; Sonication; Green chemistry;

DOI:10.1155/2021/7375058

upstream raw materials:

1-(p-bromobenzoyl)aziridine

4-bromobenzenemethanol

ethanolamine

4-bromo-benzaldehyde

Downstream raw materials:

C₁₈H₁₅NO

2-(4-bromophenyl)oxazole

C₁₄H₁₇NOSi

C₂₀H₁₆N₂O₂

Refernces

• 1、 Liu, Jidan,Yang, Zhenke,Jiang, Jinyuan,Zeng, Qiaohai,Zheng, Liyao,Liu, Zhao-Qing. "Rhodium(III)-Catalyzed Oxidative Cyclization of Oxazolines with Cyclopropanols: Synthesis of Isoindolinones". supporting information. p. 5927 - 5931. Retrieved 2021/07/31.
• 2、 Singh, Diksha,Kumar, Gangam Srikanth,Kapur, Manmohan. "Oxazolinyl-Assisted Ru(II)-Catalyzed C-H Allylation with Allyl Alcohols and Synthesis of 4-Methyleneisochroman-1-ones". . p. 12881 - 12892. Retrieved 2019/09/30.