Lot numbers can be found on the outside label of a product:
Methyl 2-hydroxybenzo[d]oxazole-6-carboxylate
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CAS No. 72752-80-8
- Cat. No. CS-0317235
- Purity≥95%
- MDL No.MFCD12827780
*For research and further manufacturing use only, not for direct human use.
![Methyl 2-hydroxybenzo[d]oxazole-6-carboxylate|CS-0317235](https://file.chemscene.com/productPIC/CS-0317235.gif)
Structure of 72752-80-8
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General Information
- CAS No. 72752-80-8
- Cat. No. CS-0317235
- Purity ≥95%
- MDL No. MFCD12827780
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₄
- Molecular Weight 193.16
- Synonym(s) Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylate
- SMILES COC(=O)C1=CC2=C(C=C1)N=C(O)O2
Description
Methyl 2-hydroxybenzo[d]oxazole-6-carboxylate is a heterocyclic ester featuring a fused oxazole ring with strategically positioned hydroxyl and carboxylate groups. This scaffold delivers enhanced solubility and stability under standard conditions, enabling efficient integration into synthetic sequences requiring polar, electron-deficient motifs.
Application
Methyl 2-hydroxybenzo[d]oxazole-6-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to bioactive scaffolds. Its ortho-hydroxyl and ester functionalities support diverse transformations, including metal-catalyzed cross-couplings and derivatization under mild conditions. Bench-stable and readily purified by standard chromatography, it functions as a key intermediate in the construction of oxazole-based pharmaceuticals and agrochemicals.
Synthesis
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Route1
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In-stock
63435-16-5 -
530-62-1 - ~92%
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In-stock
72752-80-8
References
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METHYLGENE INC. Patent: WO2007/118137 A1, 2007 ; Location in patent: Page/Page column 106-107 ;
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Route2
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32315-10-9
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In-stock
63435-16-5
- ~81%
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In-stock
72752-80-8
References
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RESVERLOGIX CORP.; JOHANSSON, Jan, O.; HANSEN, Henrik, C.; CHIACCHIA, Fabrizio, S.; WONG, Norman, C.W. Patent: WO2007/16525 A2, 2007 ; Location in patent: Page/Page column 89 ; WO 2007/016525 A2
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Route3
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In-stock
2374-03-0 - ~%
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In-stock
72752-80-8
References
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WO2013/68552 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 72.56
- LogP 1.32
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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