4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-1,3-oxazole

Base Information

Chemical Name:4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-1,3-oxazole
CAS No.:207303-15-9
Molecular Formula:C₈H₁₀ClNO
Molecular Weight:171.626
Hs Code.:
DSSTox Substance ID:DTXSID00695733
Mol file:207303-15-9.mol

Synonyms:DTXSID00695733;4-(3-CHLORO-2-METHYLPROP-1-EN-1-YL)-2-METHYL-1,3-OXAZOLE

Suppliers and Price of 4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-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
4-(3-CHLORO-2-METHYLPROP-1-ENYL)-2-METHYL-1,3-OXAZOLE 95.00%
5MG
$ 502.57

Total 2 raw suppliers

Chemical Property of 4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-1,3-oxazole

Chemical Property:

Vapor Pressure:0.0254mmHg at 25°C
Refractive Index:1.533
Boiling Point:256°Cat760mmHg
Flash Point:108.6°C
PSA：26.03000
Density:1.141g/cm³
LogP:2.62510
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:171.0450916
Heavy Atom Count:11
Complexity:158

Purity/Quality:

97% ^*data from raw suppliers

4-(3-CHLORO-2-METHYLPROP-1-ENYL)-2-METHYL-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=NC(=CO1)C=C(C)CCl

Technology Process of 4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-1,3-oxazole

There total 2 articles about 4-(3-Chloro-2-methylprop-1-EN-1-YL)-2-methyl-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: 64.0%

: 147438-69-5
(E)-2-methyl-3-(2-methyl-oxazol-4-yl)-prop-2-en-1-ol

: 207303-15-9
4-(3-chloro-2-methylprop-1-enyl)-2-methyl-1,3-oxazole

Guidance literature:: With methanesulfonyl chloride; triethylamine; In dichloromethane; for 1h; Ambient temperature;
DOI:10.1016/S0040-4039(98)00268-8

Reference yield:

: 139630-91-4
(E)-2-methyl-3-(2-methyloxazol-4-yl)acrylaldehyde

: 207303-15-9
4-(3-chloro-2-methylprop-1-enyl)-2-methyl-1,3-oxazole

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / diisobutylaluminum hydride / diethyl ether; hexane / 2.2 h / -78 °C

2: 64 percent / Et₃N; methanesulfonyl chloride / CH₂Cl₂ / 8 h / 0 - 20 °C

With diisobutylaluminium hydride; methanesulfonyl chloride; triethylamine; In diethyl ether; hexane; dichloromethane; 1: Reduction / 2: Substitution;
DOI:10.1021/jo980754k

Reference yield:

: 207303-15-9
4-(3-chloro-2-methylprop-1-enyl)-2-methyl-1,3-oxazole

: (1S,2S,3R)-1-{[(1S)-3,3-diethyl-2,4-dioxolanyl]methyl}-3-methoxy-1-[(4-methoxyphenyl)methoxy]-2,4,8-trimethyl-9-[4-methyl(3,5-oxazolyl)]nona-4,6,8-triene

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 2 h / 20 °C

1.2: 73 percent / tetrahydrofuran / 1.5 h / 45 °C

2.1: 55 percent / t-BuOK / 1,2-dimethoxy-ethane / 2.5 h / 0 - 60 °C

With potassium tert-butylate; sodium hydride; In tetrahydrofuran; 1,2-dimethoxyethane; 1.1: Metallation / 1.2: Alkylation / 2.1: Horner-Wadsworth-Emmons reaction;
DOI:10.1021/jo980754k