- Ring-Opening Fluorination of IsoxazolesKomatsuda, Masaaki; Ohki, Hugo; Kondo, Hiroki Jr.; Suto, Ayane; Yamaguchi, Junichiro, Organic Letters, 2022, 24(17), 3270-3274
Cas no 924846-62-8 (Methyl 5-(tert-butyl)isoxazole-4-carboxylate)
924846-62-8 structure
Product Name:Methyl 5-(tert-butyl)isoxazole-4-carboxylate
CAS No:924846-62-8
MF:C9H13NO3
MW:183.204422712326
CID:4719898
Update Time:2025-09-27
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-(tert-butyl)isoxazole-4-carboxylate
- Methyl 5-(1,1-dimethylethyl)-4-isoxazolecarboxylate (ACI)
-
- Inchi： 1S/C9H13NO3/c1-9(2,3)7-6(5-10-13-7)8(11)12-4/h5H,1-4H3
- InChI Key： ANPUWOADBFCFPN-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C(C)(C)C)ON=C1)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 198
- Topological Polar Surface Area: 52.3
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 272.6±28.0 °C at 760 mmHg
- Flash Point: 118.7±24.0 °C
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC11829-10g |
methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 95% | 10g |
$1686 | 2023-09-07 | |
| Chemenu | CM529807-1g |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 97% | 1g |
$449 | 2023-01-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649242-250mg |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 98% | 250mg |
￥2992.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649242-1g |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 98% | 1g |
￥5887.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1649242-5g |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 98% | 5g |
￥19012.00 | 2024-04-25 | |
| Crysdot LLC | CD11012515-1g |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 97% | 1g |
$499 | 2024-07-19 | |
| Crysdot LLC | CD11012515-5g |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate |
924846-62-8 | 97% | 5g |
$1501 | 2024-07-19 |
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Production Method
Production Method 1
Reaction Conditions
1.1 12 h, 60 °C
1.2 Reagents: Acetic acid , Sodium carbonate , Hydroxyamine hydrochloride Solvents: Methanol , Water ; < 1 h, pH 4 - 5, 100 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water
1.2 Reagents: Acetic acid , Sodium carbonate , Hydroxyamine hydrochloride Solvents: Methanol , Water ; < 1 h, pH 4 - 5, 100 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water
Reference
Production Method 2
Reaction Conditions
1.1 12 h, 100 °C
1.2 Reagents: Sodium carbonate , Hydroxyamine hydrochloride Solvents: Acetic acid , Methanol , Water ; pH 4 - 5; > 1 h, 100 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water
1.2 Reagents: Sodium carbonate , Hydroxyamine hydrochloride Solvents: Acetic acid , Methanol , Water ; pH 4 - 5; > 1 h, 100 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water
Reference
- Ring-opening fluorination of isoxazolesKomatsuda, Masaaki; Ohki, Hugo; Kondo, Hiroki Jr.; Suto, Ayane; Yamaguchi, Junichiro, ChemRxiv, 2022, 1, 1-6
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Raw materials
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Preparation Products
Methyl 5-(tert-butyl)isoxazole-4-carboxylate Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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