2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

Base Information

• Chemical Name: 2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
• CAS No.: 148836-24-2
• Molecular Formula: C12H14 Br N O
• Molecular Weight: 268.153
• DSSTox Substance ID: DTXSID50697722,DTXSID601209431
• Mol file: 148836-24-2.mol

Synonyms:DTXSID50697722;DTXSID601209431;2-(2-Bromophenyl)-4,5-dihydro-4-(1-methylethyl)oxazole;2-(2-Bromophenyl)-4-isopropyl-4,5-dihydro-1,3-oxazole;2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole;885271-09-0

Chemical Property of 2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

Chemical Property:

• PSA: 21.59000
• LogP: 2.68610
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 267.02588
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(2-BROMOPHENYL)-4-ISOPROPYL-4,5-DIHYDROOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1COC(=N1)C2=CC=CC=C2Br

Technology Process of 2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

There total 9 articles about 2-(2-Bromophenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole 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: 69.0%

(S)-valinol (2026-48-4,473-75-6) + 2-bromobenzoic-acid (88-65-3) → (-)-(S)-2-(2-bromo-phenyl)-4-isopropyl-4,5-dihydro-oxazole (148836-24-2)

Guidance literature:

With pyridine; triethylamine; triphenylphosphine; In tetrachloromethane; acetonitrile; for 24h;

DOI:10.1016/0040-4020(96)00267-0

Reference yield: 64.0%

(S)-valinol (2026-48-4,473-75-6) + ortho-bromobenzaldehyde (6630-33-7) → (-)-(S)-2-(2-bromo-phenyl)-4-isopropyl-4,5-dihydro-oxazole (148836-24-2)

Guidance literature:

(S)-valinol; ortho-bromobenzaldehyde; In toluene; at 20 ℃; for 24h; Molecular sieve;

With potassium phosphate; N-Bromosuccinimide; In toluene; at 20 ℃; for 3.08333h;

DOI:10.1055/s-0030-1260124

Reference yield:

C13H18BrNO4S → (-)-(S)-2-(2-bromo-phenyl)-4-isopropyl-4,5-dihydro-oxazole (148836-24-2)

Guidance literature:

With sodium hydroxide; In methanol; water; for 4h; Reflux;

DOI:10.1016/j.tet.2012.02.078

upstream raw materials:

(S)-valinol

2-bromobenzoic-acid

ortho-bromobenzaldehyde

2-bromobenzoic acid chloride

Downstream raw materials:

(4S)-2-[2-(diphenylphosphino)phenyl]-4-isopropyl-4,5-dihydro-1,3-oxazole

(4S)-4,5-dihydro-2-(2'-mercaptophenyl)-4-isopropyloxazole

(4S)-2-(4-isopropyloxazolin-2-yl)phenyl, phenyl selenide

(4S)-4,5-dihydro-4-isopropyl-2-<2-(phenylsulfanyl)phenyl>-1,3-oxazole