5-Methyl-4-isoxazolecarbonyl chloride

Base Information

• Chemical Name: 5-Methyl-4-isoxazolecarbonyl chloride
• CAS No.: 67305-24-2
• Molecular Formula: C5H4 Cl N O2
• Molecular Weight: 145.545
• Hs Code.: 2934999090
• European Community (EC) Number: 673-205-1
• DSSTox Substance ID: DTXSID00983586
• Wikidata: Q82970507
• Mol file: 67305-24-2.mol

Synonyms:67305-24-2;5-Methyl-4-isoxazolecarbonyl chloride;5-methylisoxazole-4-carbonyl chloride;5-methyl-1,2-oxazole-4-carbonyl chloride;5-Methyl-isoxazole-4-carbonyl chloride;5-methyl-4-isoxazolecarbonylchloride;4-isoxazolecarbonyl chloride, 5-methyl-;6505-43-7;SCHEMBL1023500;DTXSID00983586;ZKAQPVQEYCFRTK-UHFFFAOYSA-N;Methyl-4-isoxazolecarbonyl chloride;5-methylisoxazole-4-carbonylchloride;MFCD03411599;STK503397;4-Isoxazolecarbonylchloride,5-methyl-;AKOS005171526;4-isoxazolecarbonyl chloride, 5-methyl;FS-5962;5-Methylisoxazol-4-yl carbonyl chloride;BP-13355;5-methyl-4-isoxazolecarboxylic acid chloride;5-methylisoxazole-4-carboxylic acid chloride;BB 0237724;FT-0677831;EN300-132181;5-Methyl-4-isoxazolecarbonyl chloride, AldrichCPR;A835705;J-517792;F2163-0108

Chemical Property of 5-Methyl-4-isoxazolecarbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0751mmHg at 25°C
• Boiling Point: 78 °C
• PKA: -4.23±0.50(Predicted)
• Flash Point: 91.7°C
• PSA: 43.10000
• Density: 1.345g/cm³
• LogP: 1.36200
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.9930561
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

98% ^*data from raw suppliers

5-Methyl-4-isoxazolecarbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NO1)C(=O)Cl

Technology Process of 5-Methyl-4-isoxazolecarbonyl chloride

There total 6 articles about 5-Methyl-4-isoxazolecarbonyl chloride 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%

5-methyl-1,2-oxazole-4-carboxylic acid (42831-50-5) → 5-methylisoxazole-4-carbonyl chloride (67305-24-2)

Guidance literature:

With thionyl chloride; In toluene;

Reference yield:

4-trifluoromethylphenylamine (455-14-1) → 5-methylisoxazole-4-carbonyl chloride (67305-24-2) + Leflunomide (75706-12-6)

Guidance literature:

With sodium hydrogencarbonate; In water;

Reference yield:

5-methyl-1,2-oxazole-4-carboxylic acid (42831-50-5) + of toluene → 5-methylisoxazole-4-carbonyl chloride (67305-24-2)

Guidance literature:

With thionyl chloride;

upstream raw materials:

5-methyl-1,2-oxazole-4-carboxylic acid

5-methylisoxazole-4-carboxylic acid ethyl ester

2-ethoxymethylene-3-oxobutanoic acid ethyl ester

4-trifluoromethylphenylamine

Downstream raw materials:

N-(5-Methyl-4-isoxazolylcarbonyl)-piperidine

Leflunomide

N-<4-(1-Cyano-1-methylethyl)phenyl>-5-methylisoxazole-4-carboxamide

N-[4-(1,1-dimethylpropyl)phenyl]-5-methylisoxazol-4-yl-carboxamide

Refernces

• 1、 Chen, Qiang,Gou, Kun,Li, Chungen,Liu, Huan,Liu, Xiaocong,Luo, Youfu,Luo, Yuan,Tao, Lei,Yang, Xiaowei,Yang, Xinyu,Zeng, Ting,Zhao, Yinglan,Zhong, Xi,Zhou, Xia,Zhou, Yue. "Design, Synthesis, and Biological Evaluation of a Novel Series of Teriflunomide Derivatives as Potent Human Dihydroorotate Dehydrogenase Inhibitors for Malignancy Treatment". . p. 18175 - 18192. Retrieved 2021/12/27.
• 2、 -. "SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE". Page/Page column 677. . Retrieved 2016/04/10.