ChemicalBook > CAS DataBase List > 4-Iodo-3,5-dimethylisoxazole

4-Iodo-3,5-dimethylisoxazole

Uses

Product Name: 4-Iodo-3,5-dimethylisoxazole
CAS No.: 10557-85-4
Chemical Name: 4-Iodo-3,5-dimethylisoxazole
Synonyms: BUTTPARK 97\06-60;4-IODO-3,5-DIMETHYLISOXAZOLE;3,5-DIMETHYL-4-IODOISOXAZOLE;3.5-dimethyl-4-iodoisorazole;4-Iodo-3,5-dimethyl-1,2-oxazole;Isoxazole, 4-iodo-3,5-dimethyl-;4-Iodo-3,5-dimethylisoxazole>3,5-DIMETHYL-4-IODOISOXAZOLE 97%;3,5-diMethyl-4-iodoMethylisoxazole
CBNumber: CB7431793
Molecular Formula: C5H6INO
Formula Weight: 223.01
MOL File: 10557-85-4.mol

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4-Iodo-3,5-dimethylisoxazole Property

Melting point:: 51 °C
Boiling point:: 239.2±35.0 °C(Predicted)
Density: 1.8763 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -2.30±0.28(Predicted)
color: Light yellow to Yellow to Orange
Sensitive: Light Sensitive
InChI: InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey: NMNOXVWRJISEFE-UHFFFAOYSA-N
SMILES: O1C(C)=C(I)C(C)=N1
CAS DataBase Reference: 10557-85-4(CAS DataBase Reference)

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Safety

Risk Statements: 41
Safety Statements: 24/25-39-26
HazardClass: LIGHT SENSITIVE
HS Code: 29349990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H301Toxic if swalloed

H315Causes skin irritation

H317May cause an allergic skin reaction

H319Causes serious eye irritation

H330Fatal if inhaled

H335May cause respiratory irritation

H350May cause cancer

H372Causes damage to organs through prolonged or repeated exposure

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P201Obtain special instructions before use.

P202Do not handle until all safety precautions have been read and understood.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P284Wear respiratory protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P330Rinse mouth.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical

Product number: I0727
Product name: 4-Iodo-3,5-dimethylisoxazole
Purity: >98.0%(GC)
Packaging: 1g
Price: $31
Updated: 2025/07/31

TCI Chemical

Product number: I0727
Product name: 4-Iodo-3,5-dimethylisoxazole
Purity: >98.0%(GC)
Packaging: 5g
Price: $107
Updated: 2025/07/31

TRC

Product number: D474173
Product name: 3,5-Dimethyl-4-iodoisoxazole
Packaging: 500mg
Price: $60
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: D6867
Product name: 3,5-Dimethyl-4-iodoisoxazole
Purity: 98%
Packaging: 100g
Price: $70
Updated: 2021/12/16

AK Scientific

Product number: R333
Product name: 4-Iodo-3,5-dimethylisoxazole
Packaging: 100g
Price: $76
Updated: 2021/12/16

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4-Iodo-3,5-dimethylisoxazole Chemical Properties,Usage,Production

Uses

3,5-Dimethylisoxazole is a heterocyclic organic compound that can be used to prepare α4β1 and α4β7 antagonists.

Synthesis

300-87-8

10557-85-4

General procedure for the synthesis of 3,5-dimethyl-4-iodoisoxazole from 3,5-dimethylisoxazole: 1. Preparation of Intermediate 1 (4-iodo-3,5-dimethylisoxazole): Nitric acid (13 mL) was slowly added dropwise (note the exothermic reaction) to a mixture containing 3,5-dimethylisoxazole (31.3 g, 320 mmol) and iodine (37.3 g, 150 mmol) at room temperature. After dropwise addition, the reaction mixture was continued to be stirred for 1 hour. 2. Post-treatment: The reaction mixture was quenched with a mixture of ice and water followed by extraction with dichloromethane (DCM). The organic phase was separated, washed with sodium thiosulfate (Na2S2O3) solution and dried over anhydrous sodium sulfate (Na2SO4). Finally, the organic phase was concentrated under reduced pressure to afford the target product 3,5-dimethyl-4-iodoisoxazole as a yellow solid (60 g, 83% yield). [APCI MS] m/z: 224 [M+H]+, retention time (Rt) 2.17 min.

References

[1] Tetrahedron Letters, 2010, vol. 51, # 41, p. 5423 - 5425
[2] Patent: WO2011/54846, 2011, A1. Location in patent: Page/Page column 40-41
[3] Patent: US2012/232074, 2012, A1. Location in patent: Page/Page column 17
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 24, p. 10045 - 10065

4-Iodo-3,5-dimethylisoxazole Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-Iodo-3,5-dimethylisoxazole manufacturers

Career Henan Chemical Co

Product: 4-Iodo-3,5-dimethylisoxazole 10557-85-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 100KG
Release date: 2019-05-24

10557-85-4, 4-Iodo-3,5-dimethylisoxazoleRelated Search:

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4-Iodo-3,5-dimethylisoxazole&gt

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10557-85-4

C5H6NIO

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Halogenated

Isoxazole

Organohalides