Cas no 84654-29-5 (Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate)
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate is a versatile brominated isoxazole derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its reactive bromomethyl group enables efficient functionalization, making it valuable for cross-coupling reactions, nucleophilic substitutions, and the construction of heterocyclic scaffolds. The ethyl ester moiety enhances solubility in organic solvents, facilitating further derivatization. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules, including potential antimicrobial and anti-inflammatory agents. Its high purity and stability ensure reliable performance in synthetic applications. The isoxazole core contributes to its utility in designing compounds with tailored electronic and steric properties, supporting diverse research and industrial applications.
84654-29-5 structure
Product Name:Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate
CAS No:84654-29-5
MF:C7H8BrNO3
MW:234.04732131958
MDL:MFCD08234960
CID:707427
PubChem ID:13124955
Update Time:2025-07-02
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 5-(bromomethyl)-, ethyl ester
- ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
- 3-carbethoxy-5-bromomethylisoxazole
- 5-(bromomethyl)-3-isoxazolecarboxylic acid ethyl ester
- 5-bromomethylisoxazole-3-carboxylic acid ethyl ester
- ethyl 5-(bromomethyl)-3-isoxazolecarboxylate
- ethyl 5-(bromomethyl)isoxazole-3-carboxylate
- SY166392
- A1-09821
- MFCD08234960
- DTXSID50519834
- SCHEMBL892010
- ethyl5-(bromomethyl)isoxazole-3-carboxylate
- AM85924
- WGYWHPXMHCTBIS-UHFFFAOYSA-N
- EN300-192519
- 5-Bromomethyl-isoxazole-3-carboxylic acid ethyl ester
- 84654-29-5
- Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate
-
- MDL： MFCD08234960
- Inchi： 1S/C7H8BrNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3
- InChI Key： WGYWHPXMHCTBIS-UHFFFAOYSA-N
- SMILES： BrCC1=CC(C(=O)OCC)=NO1
Computed Properties
- Exact Mass: 232.96900
- Monoisotopic Mass: 232.96876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 1.5
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33000
- LogP: 1.74620
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E903850-10mg |
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E903850-50mg |
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 50mg |
$ 160.00 | 2022-06-05 | ||
| TRC | E903850-100mg |
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 100mg |
$ 275.00 | 2022-06-05 | ||
| Chemenu | CM526170-1g |
Ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 97% | 1g |
$526 | 2023-01-07 | |
| eNovation Chemicals LLC | Y1132566-5g |
ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 95% | 5g |
$2600 | 2024-07-23 | |
| AK Scientific | 4086CU-100mg |
Ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 95% | 100mg |
$389 | 2023-09-16 | |
| AK Scientific | 4086CU-1g |
Ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 95% | 1g |
$937 | 2023-09-16 | |
| AK Scientific | 4086CU-5g |
Ethyl 5-(bromomethyl)isoxazole-3-carboxylate |
84654-29-5 | 95% | 5g |
$1763 | 2023-09-16 | |
| Enamine | EN300-192519-1.0g |
ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate |
84654-29-5 | 95% | 1g |
$0.0 | 2023-06-07 | |
| Enamine | EN300-192519-0.05g |
ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate |
84654-29-5 | 95% | 0.05g |
$126.0 | 2023-09-17 |
Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
84654-29-5 (Ethyl 5-(Bromomethyl)isoxazole-3-carboxylate) Related Products
- 19788-35-3(methyl 5-methyl-1,2-oxazole-3-carboxylate)
- 833445-84-4(3-Isoxazolecarboxylicacid, 5-(bromomethyl)-, 2-propen-1-yl ester)
- 90607-22-0(Ethyl 5-ethylisoxazole-3-carboxylate)
- 3209-40-3(ethyl 5-(chloromethyl)isoxazole-3-carboxylate)
- 95312-11-1(3-Isoxazolecarboxylic acid, 5-(bromomethyl)-)
- 123770-62-7(Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate)
- 253196-38-2(ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate)
- 22667-21-6(methyl 5-formylisoxazole-3-carboxylate)
- 3209-72-1(Ethyl 5-methylisoxazole-3-carboxylate)
- 833445-83-3(3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, 2-propenyl ester)
Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
