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

Base Information

Chemical Name:2-(4-Iodophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CAS No.:115599-48-9
Molecular Formula:C₁₁H₁₂INO
Molecular Weight:301.127
Hs Code.:
DSSTox Substance ID:DTXSID80693499
Wikidata:Q82622544
Mol file:115599-48-9.mol

Synonyms:115599-48-9;2-(4-Iodophenyl)-4,4-dimethyl-5H-1,3-oxazole;2-(4-Iodophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole;4,5-DIHYDRO-2-(4-IODOPHENYL)-4,4-DIMETHYLOXAZOLE;DTXSID80693499

Suppliers and Price of 2-(4-Iodophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

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

American Custom Chemicals Corporation
2-(4-IODOPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE 95.00%
5MG
$ 495.32

Total 1 raw suppliers

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

Chemical Property:

Melting Point:59-60 °C
Boiling Point:324.8±25.0 °C(Predicted)
PKA:4.28±0.70(Predicted)
PSA：21.59000
Density:1.62±0.1 g/cm3(Predicted)
LogP:2.28220
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:300.99636
Heavy Atom Count:14
Complexity:242

Purity/Quality:: 2-(4-IODOPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE 95.00% ^*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)I)C

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

There total 4 articles about 2-(4-Iodophenyl)-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: 94.3%

: 2-[N-(4-iodobenzoyl)amino]-2-methyl-1-propanol

: 115599-48-9
2-(4-iodophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Guidance literature:: 2-[N-(4-iodobenzoyl)amino]-2-methyl-1-propanol; With triethylamine; p-toluenesulfonyl chloride; In dichloromethane; at 20 ℃; for 144h; Inert atmosphere;

With ammonium chloride; In dichloromethane; water;
DOI:10.1039/c2cc17940g

Reference yield: 81.0%

: 619-58-9
4-iodobenzoic acid

: 124-68-5
2-Amino-2-methyl-1-propanol

: 115599-48-9
2-(4-iodophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Guidance literature:: 4-iodobenzoic acid; With thionyl chloride; for 2h; Reflux;

2-Amino-2-methyl-1-propanol; In dichloromethane; at 0 ℃; for 48h;

With thionyl chloride; In dichloromethane; at 25 ℃; for 16h;
DOI:10.1002/ejoc.201403255

Reference yield:

: 1711-02-0
4-iodobenzoic acid chloride

: 115599-48-9
2-(4-iodophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere; Schlenk technique

2: thionyl chloride / 0.33 h / 25 °C / Inert atmosphere; Schlenk technique

With thionyl chloride; In dichloromethane;
DOI:10.1021/acs.orglett.9b01350