Cas no 133674-39-2 (methyl 3-tert-butylisoxazole-5-carboxylate)

Methyl 3-tert-butylisoxazole-5-carboxylate is a versatile heterocyclic ester with applications in pharmaceutical and agrochemical research. Its isoxazole core, substituted with a tert-butyl group at the 3-position and a carboxylate ester at the 5-position, provides a stable scaffold for further functionalization. The compound is particularly valued for its role as a synthetic intermediate in the development of bioactive molecules, owing to its balanced reactivity and steric properties. Its structural features facilitate selective modifications, making it useful in the synthesis of targeted compounds. The tert-butyl group enhances steric hindrance, potentially improving metabolic stability in derived molecules. This product is typically supplied with high purity, ensuring reliable performance in synthetic applications.

methyl 3-tert-butylisoxazole-5-carboxylate structure

133674-39-2 structure

Product Name:methyl 3-tert-butylisoxazole-5-carboxylate

CAS No:133674-39-2

MF:C₉H₁₃NO₃

MW:183.204422712326

MDL:MFCD08752835

CID:1233434

PubChem ID:15812234

Update Time:2025-06-07

methyl 3-tert-butylisoxazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

- methyl 3-tert-butylisoxazole-5-carboxylate
- LogP
- methyl 3-tert-butyl-1,2-oxazole-5-carboxylate
- STK894391
- CS-0205357
- 3-t-Butylisoxazole-5-carboxylic acid methyl ester
- methyl 3-(tert-butyl)-5-isoxazolecarboxylate
- MFCD08752835
- 5-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-, methyl ester
- Z1198182217
- SCHEMBL352449
- 3-tert-butylisoxazole-5-carboxylic acid methyl ester
- DTXSID40578511
- Methyl3-(tert-butyl)isoxazole-5-carboxylate
- BS-25645
- SY334967
- DB-125176
- 3-tert-butyl-isoxazole-5-carboxylic acid methyl ester
- AKOS005144213
- methyl 3-t-butylisoxazole-5-carboxylate
- Methyl 3-(tert-butyl)isoxazole-5-carboxylate
- EN300-220250
- BBL021675
- FFPAIQCUBUFABI-UHFFFAOYSA-N
- 133674-39-2
- MDL： MFCD08752835
- Inchi： 1S/C9H13NO3/c1-9(2,3)7-5-6(13-10-7)8(11)12-4/h5H,1-4H3
- InChI Key： FFPAIQCUBUFABI-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=CC(C(C)(C)C)=N1

Computed Properties

Exact Mass: 183.08959
Monoisotopic Mass: 183.08954328g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 198
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
XLogP3: 2.3
Topological Polar Surface Area: 52.3?2

Experimental Properties

PSA: 52.33

methyl 3-tert-butylisoxazole-5-carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	M222235-50mg	Methyl 3-tert-Butylisoxazole-5-carboxylate	133674-39-2		50mg	$ 50.00	2022-06-04
TRC	M222235-100mg	Methyl 3-tert-Butylisoxazole-5-carboxylate	133674-39-2		100mg	$ 95.00	2022-06-04
TRC	M222235-500mg	Methyl 3-tert-Butylisoxazole-5-carboxylate	133674-39-2		500mg	$ 320.00	2022-06-04
Apollo Scientific	OR906938-100mg	Methyl 3-tert-butylisoxazole-5-carboxylate	133674-39-2	95%	100mg	￡130.00	2025-02-21
Apollo Scientific	OR906938-250mg	Methyl 3-tert-butylisoxazole-5-carboxylate	133674-39-2	95%	250mg	￡250.00	2025-02-21
Apollo Scientific	OR906938-1g	Methyl 3-tert-butylisoxazole-5-carboxylate	133674-39-2	95%	1g	￡595.00	2025-02-21
Chemenu	CM466311-1g	5-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-, methyl ester	133674-39-2	95%+	1g	$601	2024-08-02
eNovation Chemicals LLC	D963170-2g	5-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-, methyl ester	133674-39-2	95%	2g	$775	2024-06-07
abcr	AB383619-100mg	Methyl 3-tert-butyl-1,2-oxazole-5-carboxylate; .	133674-39-2		100mg	€285.40	2025-02-19
abcr	AB383619-250mg	Methyl 3-tert-butyl-1,2-oxazole-5-carboxylate; .	133674-39-2		250mg	€376.80	2025-04-21