- Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptorsLee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; et al, Journal of the Chemical Society, 2002, (12), 2031-2038
Cas no 1004-96-2 (Methyl 3-methylisoxazole-5-carboxylate)
1004-96-2 structure
Product Name:Methyl 3-methylisoxazole-5-carboxylate
CAS No:1004-96-2
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD10699057
CID:153082
PubChem ID:70492
Update Time:2025-04-19
Methyl 3-methylisoxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-methylisoxazole-5-carboxylate
- 5-Isoxazolecarboxylicacid, 3-methyl-, methyl ester
- methyl 3-methyl-1,2-oxazole-5-carboxylate
- methyl 3-methyl-5-isoxazolecarboxylate
- 3-Methylisoxazole-5-carboxylic acid methyl ester
- 3-Methyl-5-isoxazolecarboxylic acid methyl ester
- 5-isoxazolecarboxylic acid, 3-methyl-, methyl ester
- MBRNUSBFRMCWIZ-UHFFFAOYSA-N
- SBB026808
- 0210AA
- STK510221
- ST45135563
- ST24025305
- AN-970/40211557
- 3-methyl-isoxazole-5-carboxylic acid methyl ester
- NS00022987
- SCHEMBL4034128
- DTXSID10143250
- MFCD10699057
- BAA00496
- EINECS 213-730-1
- W10289
- AKOS005168730
- 7233-69-4
- DS-17778
- Methyl3-methylisoxazole-5-carboxylate
- CS-0035753
- EN300-157249
- 1004-96-2
- A897427
- DB-308287
-
- MDL： MFCD10699057
- Inchi： 1S/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3
- InChI Key： MBRNUSBFRMCWIZ-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=CC(C)=N1
Computed Properties
- Exact Mass: 141.04261
- Monoisotopic Mass: 141.042593
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3
- XLogP3: 1
Experimental Properties
- Density: 1.179
- Boiling Point: 227.6℃ at 760 mmHg
- Flash Point: 91.4°C
- Refractive Index: 1.467
- PSA: 52.33
- LogP: 0.76960
Methyl 3-methylisoxazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A219312-250mg |
Methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 250mg |
$21.0 | 2025-02-22 | |
| Ambeed | A219312-1g |
Methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 1g |
$33.0 | 2025-02-22 | |
| Ambeed | A219312-5g |
Methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 5g |
$110.0 | 2025-02-22 | |
| Ambeed | A219312-25g |
Methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 25g |
$546.0 | 2025-02-22 | |
| Chemenu | CM129554-1g |
methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 1g |
$215 | 2021-08-05 | |
| Chemenu | CM129554-5g |
methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 5g |
$533 | 2021-08-05 | |
| TRC | M338673-50mg |
Methyl 3-Methylisoxazole-5-carboxylate |
1004-96-2 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M338673-100mg |
Methyl 3-Methylisoxazole-5-carboxylate |
1004-96-2 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M338673-500mg |
Methyl 3-Methylisoxazole-5-carboxylate |
1004-96-2 | 500mg |
$ 210.00 | 2022-06-03 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NX210-250mg |
Methyl 3-methylisoxazole-5-carboxylate |
1004-96-2 | 98% | 250mg |
466CNY | 2021-05-08 |
Methyl 3-methylisoxazole-5-carboxylate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Diethyl ether ; 16 h, 18 °C; 24 h, 18 °C
Reference
Methyl 3-methylisoxazole-5-carboxylate Raw materials
Methyl 3-methylisoxazole-5-carboxylate Preparation Products
Methyl 3-methylisoxazole-5-carboxylate Related Literature
-
1. A new spiro annelation reaction in the isoxazole series: applications and limitsRodolfo Nesi,Stefano Chimichi,Piero Sarti-Fantoni,Piero Tedeschi,Donatella Giomi J. Chem. Soc. Perkin Trans. 1 1985 1871
-
2. Generation of nitrite oxides via O-tributylstannyl aldoximes; application to the synthesis of isoxazolines and isoxazolesOsamu Moriya,Hideo Takenaka,Masaichi Iyoda,Yoshikiyo Urata,Takeshi Endo J. Chem. Soc. Perkin Trans. 1 1994 413
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