METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

Base Information

• Chemical Name: METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
• CAS No.: 4402-83-9
• Molecular Formula: C12H9 Cl2 N O3
• Molecular Weight: 286.114
• Hs Code.: 2934999090
• Mol file: 4402-83-9.mol

Synonyms:3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid methyl ester;methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate;3-<2,6-Dichlor-phenyl>-5-methyl-isoxazol-4-carbonsaeure-methylester;3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester;3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid,methyl ester;

Chemical Property of METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 4.72E-06mmHg at 25°C
• Melting Point: 115 °C
• Boiling Point: 382.4 °C at 760 mmHg
• Flash Point: 185.1 °C
• PSA: 52.33000
• Density: 1.37 g/cm³
• LogP: 3.74340
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

98%min ^*data from raw suppliers

3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Uses: METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE is used in the preparation of isoxazolyl penicillin derivatives.

Technology Process of METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE

There total 10 articles about METHYL 3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE 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: 87.0%

2,6-dichlorobenzohydroximoyl chloride (6579-27-7) + acetoacetic acid methyl ester (105-45-3) → SPB 06193 (4402-83-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; for 24h;

Reference yield: 87.0%

2,6-dichlorobenzohydroximoyl chloride (6579-27-7) + Methyl 2-butynoate (23326-27-4) → SPB 06193 (4402-83-9) + 3-(2,6-Dichlorophenyl)-4-methylisoxazole-5-carboxylic acid methyl ester

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 - 67 ℃; for 4h;

DOI:10.1039/b008081k

Reference yield: 60.0%

2,6-dichlorobenzaldoxime (25185-95-9) + acetoacetic acid methyl ester (105-45-3) → SPB 06193 (4402-83-9)

Guidance literature:

2,6-dichlorobenzaldoxime; With methyl-tri-propylammonium methylsulfate; In water; acetonitrile; Electrochemical reaction; Flow reactor; Electrolysis;

acetoacetic acid methyl ester; With triethylamine; In water; acetonitrile; at 22 ℃; for 1.5h; Electrochemical reaction;

DOI:10.1021/acs.oprd.7b00123

upstream raw materials:

2,6-dichlorobenzaldehyde

acetoacetic acid methyl ester

2,6-dichlorobenzohydroximoyl chloride

Methyl 2-butynoate

Downstream raw materials:

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid

dimethyl 5,5'-((1E,3Z)-4-(dimethylamino)buta-1,3-diene-1,3-diyl)bis(3-(2,6-dichlorophenyl)isoxazole-4-carboxylate)

(E)-methyl 3-(2,6-dichlorophenyl)-5-(2-(dimethylamino)vinyl)isoxazole-4-carboxylate

4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole

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