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

Base Information

• Chemical Name: 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
• CAS No.: 32664-14-5
• Molecular Formula: C11H12 Br N O
• Molecular Weight: 254.126
• Hs Code.: 2934999090
• NSC Number: 718196
• DSSTox Substance ID: DTXSID80328032
• Nikkaji Number: J1.632.242C
• Wikidata: Q82090227
• Mol file: 32664-14-5.mol

Synonyms:32664-14-5;2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole;2-(4-BROMO-PHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLE;2-(4-bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole;2-(4-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole;2-(4-BROMOPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE;2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline;Oxazole, 4,5-dihydro-2-(4-bromophenyl)-4,4-dimethyl-;2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl-oxazole;SCHEMBL1763999;2-(4-bromophenyl)-4,4-dimethyl4,5-dihydro-1,3-oxazole;DTXSID80328032;AB3192;MFCD00808378;NSC718196;AKOS015957454;NSC-718196;AS-44693;2-(4-bromphenyl)-4,4-dimethyl-2-oxazoline;CS-0153782;FT-0639040;2-(4-bromophenyl)-4,4-dimethyl-5H-oxazole;2-(4-bromophenyl) -4,4-dimethyl-2-oxazoline;EN300-235993;2-(4-bromophenyl)-4,4-dimethyl-1,3-oxazoline;A836490;A913089;4-bromo-1-(4,4-dimethyl-1,3-oxazolin-2-yl)benzene;F2189-0086;2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole #;5-Bromoisoindoline-1,3-dione

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

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 306.9°C at 760 mmHg
• Flash Point: 139.4°C
• PSA: 21.59000
• Density: 1.41g/cm³
• LogP: 2.44010
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, DCM, Ethyl Acetate
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.01023
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C2=CC=C(C=C2)Br)C
• Uses: 4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline is an potential substituent in the synthesis of new series of potent benzodiazepine γ-secretase inhibitors with potential use in the treatment of Alzheimer’s disease.

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

There total 9 articles about 2-(4-Bromophenyl)-4,4-dimethyl-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: 94.0%

4-bromobenzenecarbonitrile (623-00-7) + 2-Amino-2-methyl-1-propanol (124-68-5) → 2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline (32664-14-5)

Guidance literature:

With zinc(II) chloride; for 15h; Irradiation;

DOI:10.1080/00397919608003493

Reference yield: 91.0%

2-Amino-2-methyl-1-propanol (124-68-5) + 4-bromo-benzaldehyde (1122-91-4) → 2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline (32664-14-5)

Guidance literature:

2-Amino-2-methyl-1-propanol; 4-bromo-benzaldehyde; In dichloromethane; at 25 ℃; for 18h; Inert atmosphere; Schlenk technique; Molecular sieve;

With N-Bromosuccinimide; In dichloromethane; at 25 ℃; for 4h; Inert atmosphere; Schlenk technique; Molecular sieve;

DOI:10.1021/acs.orglett.9b01350

Reference yield: 80.0%

4-Bromobenzoic acid (586-76-5) + 2-Amino-2-methyl-1-propanol (124-68-5) → 2-(4-bromophenyl)-4,4-dimethyl-2-oxazoline (32664-14-5)

Guidance literature:

4-Bromobenzoic acid; With pyridine; 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; at 0 ℃; for 0.25h;

2-Amino-2-methyl-1-propanol; With indium; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1016/j.tetlet.2009.07.032

upstream raw materials:

4-bromobenzenecarbonitrile

2-Amino-2-methyl-1-propanol

4-chlorobenzoyl chloride

4-Bromobenzoic acid

Downstream raw materials:

4-allyl-benzoic acid ethyl ester

2-(4-allyl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-benzaldehyde

1-[4-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-cycloheptanol