Cas no 139297-55-5 (Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate)
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate is a versatile heterocyclic compound featuring both an ester and a hydroxymethyl functional group, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The isoxazole core provides structural rigidity, while the hydroxymethyl group offers reactivity for further derivatization, such as etherification or esterification. The methyl ester moiety enhances solubility and facilitates downstream transformations. This compound is particularly useful in the development of bioactive molecules, including potential agrochemicals and pharmaceuticals, due to its balanced reactivity and stability. Its well-defined structure ensures reproducibility in synthetic routes, making it a reliable building block for researchers.
139297-55-5 structure
Product Name:Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate
CAS No:139297-55-5
MF:C6H7NO4
MW:157.124081850052
MDL:MFCD14706527
CID:902736
PubChem ID:10034860
Update Time:2025-05-27
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- null
- Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate
- MFCD14706527
- TS-00090
- Methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
- AKOS023600204
- DB-230781
- EN300-108057
- 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI)
- 139297-55-5
- CHEMBL264785
- SCHEMBL18973243
- Z1255497790
- DTXSID80434440
- Methyl5-(Hydroxymethyl)isoxazole-3-carboxylate
- 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester
-
- MDL： MFCD14706527
- Inchi： 1S/C6H7NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2,8H,3H2,1H3
- InChI Key： XUDZZTFUHHYXSE-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C(=O)OC)=N1
Computed Properties
- Exact Mass: 157.03751
- Monoisotopic Mass: 157.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 150
- 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: -0.3
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.56
Methyl 5-(hydroxymethyl)isoxazole-3-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-(hydroxymethyl)isoxazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M326468-10mg |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate |
139297-55-5 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M326468-50mg |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate |
139297-55-5 | 50mg |
$ 160.00 | 2022-06-04 | ||
| TRC | M326468-100mg |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate |
139297-55-5 | 100mg |
$ 250.00 | 2022-06-04 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 083481-1g |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate |
139297-55-5 | 97% | 1g |
8695.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 083481-1g |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate |
139297-55-5 | 97% | 1g |
8695CNY | 2021-05-07 | |
| Chemenu | CM466303-1g |
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI) |
139297-55-5 | 95%+ | 1g |
$401 | 2023-01-07 | |
| 1PlusChem | 1P00AIXY-50mg |
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI) |
139297-55-5 | 95% | 50mg |
$94.00 | 2025-02-25 | |
| 1PlusChem | 1P00AIXY-100mg |
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI) |
139297-55-5 | 95% | 100mg |
$128.00 | 2025-02-25 | |
| 1PlusChem | 1P00AIXY-250mg |
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI) |
139297-55-5 | 95% | 250mg |
$164.00 | 2025-02-25 | |
| 1PlusChem | 1P00AIXY-500mg |
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, methyl ester (9CI) |
139297-55-5 | 95% | 500mg |
$278.00 | 2025-02-25 |
Methyl 5-(hydroxymethyl)isoxazole-3-carboxylate Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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