(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole

Base Information

Chemical Name:(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
CAS No.:154701-60-7
Molecular Formula:C13H16BrNO
Molecular Weight:282.18
Hs Code.:2934999090
DSSTox Substance ID:DTXSID60446965
Nikkaji Number:J1.255.251C
Wikidata:Q82265723
Mol file:154701-60-7.mol

Synonyms:154701-60-7;(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole;(S)-2-(2-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole;(S)-2-(2-BROMOPHENYL)-4-TERT-BUTYL-4,5-DIHYDROOXAZOLE;(4S)-2-(2-Bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole;Oxazole, 2-(2-bromophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-, (4S)-;DTXSID60446965;MFCD08234769;AKOS015835226;AKOS015908390;BS-25563;CS-0198956;E78368;A883700;(S)-2-(2-Bromophenyl)-4beta-tert-butyl-2-oxazoline

Suppliers and Price of (S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(S)-2-(2-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole
250mg
$ 75.00

Crysdot
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole 95+%
5g
$ 339.00

Crysdot
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole 95+%
10g
$ 564.00

Chemenu
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole 95%
10g
$ 533.00

Chemenu
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole 95%
5g
$ 320.00

Biosynth Carbosynth
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
1 g
$ 250.00

Biosynth Carbosynth
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
500 mg
$ 160.00

Biosynth Carbosynth
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
100 mg
$ 65.00

Biosynth Carbosynth
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
250 mg
$ 100.00

Biosynth Carbosynth
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
2 g
$ 400.00

Total 18 raw suppliers

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

Chemical Property:

Melting Point:47-48 °C
Boiling Point:345.1±25.0 °C(Predicted)
PKA:3.91±0.70(Predicted)
PSA：21.59000
Density:1.33±0.1 g/cm3(Predicted)
LogP:3.07620
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:281.04153
Heavy Atom Count:16
Complexity:282

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(2-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1COC(=N1)C2=CC=CC=C2Br
Isomeric SMILES:CC(C)(C)[C@H]1COC(=N1)C2=CC=CC=C2Br

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

There total 12 articles about (S)-2-(2-Bromophenyl)-4-(tert-butyl)-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: 96.0%

: 402755-63-9
2-bromo-N-[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]-benzamide

: 154701-60-7
2-(2-bromophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-(4S)-oxazole

Guidance literature:: With methanesulfonyl chloride; triethylamine; In dichloromethane; at 4 - 50 ℃; for 5h; Inert atmosphere;

Reference yield: 50.0%

: 2042-37-7
o-cyanobromobenzene

: 112245-13-3
(S)-tert-leucinol

: 154701-60-7
2-(2-bromophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-(4S)-oxazole

Guidance literature:: With zinc(II) chloride; In chlorobenzene; for 24h; Heating;
DOI:10.1016/S0040-4020(01)89379-0

Reference yield:

: 112245-13-3
(S)-tert-leucinol

: 154701-60-7
2-(2-bromophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-(4S)-oxazole

Guidance literature:: Multi-step reaction with 2 steps

1: 89.5 percent / Na₂CO₃ / CH₂Cl₂; H₂O / 12 h / 20 °C

2: 81.2 percent / p-toluenesulfonyl chloride; triethylamine / CH₂Cl₂ / 22 h / 55 °C

With sodium carbonate; triethylamine; p-toluenesulfonyl chloride; In dichloromethane; water;
DOI:10.1021/ol070884s