2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid

Base Information

Chemical Name:2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid
CAS No.:198063-88-6
Molecular Formula:C₁₂H₉Cl₂NO₃
Molecular Weight:286.114
Hs Code.:
DSSTox Substance ID:DTXSID401225916

Synonyms:2-chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid;198063-88-6;SCHEMBL5208589;3-[2-chloro-4-(4-chlorophenyl)-5-oxazolyl]propionic acid;HMWVPDZMGGCCCW-UHFFFAOYSA-N;DTXSID401225916;2-Chloro-4-(4-chlorophenyl)-5-oxazolepropanoic acid

Suppliers and Price of 2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid

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

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Chemical Property of 2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:284.9959485
Heavy Atom Count:18
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=C(OC(=N2)Cl)CCC(=O)O)Cl

Technology Process of 2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid

There total 8 articles about 2-Chloro-4-(4-chlorophenyl)-5-oxazolepropionic acid 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: 99.0%

: 198063-87-5
methyl 3-[2-chloro-4-(4-chlorophenyl)-5-oxazolyl]propionate

: 198063-88-6
3-[2-chloro-4-(4-chlorophenyl)-5-oxazolyl]propionic acid

Guidance literature:: With hydrogenchloride; sodium hydroxide; In ethanol;

Reference yield:

: 1501-26-4
methyl 4-(chlorocarbonyl)butyrate

: 198063-88-6
3-[2-chloro-4-(4-chlorophenyl)-5-oxazolyl]propionic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 91 percent / AlCl₃ / 2 h / 20 °C

2: 88 percent / Br₂ / CH₂Cl₂ / 20 °C

3: HCO₂Na / methanol / 12 h / Heating

4: 61.2 g / pyridine / tetrahydrofuran / 1 h / 20 °C

5: 79 percent / NH₄OAc; AcOH / 2 h / Heating

6: 73 percent / POCl₃; pyridine / 1.5 h / 125 °C

7: 96 percent / aq. NaOH / ethanol / 1 h / 20 °C

With pyridine; sodium hydroxide; aluminium trichloride; ammonium acetate; bromine; sodium formate; acetic acid; trichlorophosphate; In tetrahydrofuran; methanol; ethanol; dichloromethane; 1: Friedel-Crafts reaction;
DOI:10.1248/cpb.51.565

Reference yield:

: 71354-29-5
methyl 5-(4-chlorophenyl)-5-oxopentanoate

: 198063-88-6
3-[2-chloro-4-(4-chlorophenyl)-5-oxazolyl]propionic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 88 percent / Br₂ / CH₂Cl₂ / 20 °C

2: HCO₂Na / methanol / 12 h / Heating

3: 61.2 g / pyridine / tetrahydrofuran / 1 h / 20 °C

4: 79 percent / NH₄OAc; AcOH / 2 h / Heating

5: 73 percent / POCl₃; pyridine / 1.5 h / 125 °C

6: 96 percent / aq. NaOH / ethanol / 1 h / 20 °C

With pyridine; sodium hydroxide; ammonium acetate; bromine; sodium formate; acetic acid; trichlorophosphate; In tetrahydrofuran; methanol; ethanol; dichloromethane;
DOI:10.1248/cpb.51.565