Lot numbers can be found on the outside label of a product:
6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one
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CAS No. 67927-44-0
- Cat. No. CS-W007206
- Purity≥98%
- MDL No.MFCD00694789
*For research and further manufacturing use only, not for direct human use.
![6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one|CS-W007206](https://file.chemscene.com/productPIC/CS-W007206.gif)
Structure of 67927-44-0
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General Information
- CAS No. 67927-44-0
- Cat. No. CS-W007206
- Purity ≥98%
- MDL No. MFCD00694789
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrNO₂
- Molecular Weight 228.04
- Synonym(s) 6-Bromo-3-methyl-1,3-benzoxazol-2(3H)-one
- SMILES O=C1OC2=CC(Br)=CC=C2N1C
Description
6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one features a brominated oxazole core with a methyl group at the 3-position, enabling direct functionalization in cross-coupling reactions. The electron-deficient heterocycle integrates readily into bioactive scaffolds and offers enhanced stability under standard conditions for synthetic applications.
Application
6-Bromo-3-methylbenzo[d]oxazol-2(3H)-one serves as a versatile building block for the synthesis of biologically relevant heterocycles and functionalized pharmaceutical intermediates. Its bromine atom enables palladium-catalyzed cross-coupling reactions, while the oxazolone core offers stability and compatibility with diverse reaction conditions. The methyl group provides a handle for further derivatization, and the compound exhibits excellent bench stability and ease of purification—ideal for scalable medicinal chemistry campaigns.
Synthesis
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Route1
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In-stock
![6-Bromobenzo[d]oxazol-2(3H)-one|CS-W022467](https://file.chemscene.com/productPIC/CS-W022467.gif)
19932-85-5 -
74-88-4 - ~79%
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In-stock
67927-44-0
References
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TIBOTEC PHARMACEUTICALS LTD. Patent: WO2008/37784 A1, 2008 ; Location in patent: Page/Page column 35-36 ;
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Route2
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![3-Methylbenzo[d]oxazol-2(3H)-one|CS-0006684](https://file.chemscene.com/productPIC/CS-0006684.gif)
21892-80-8 - ~90%
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In-stock
67927-44-0
References
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Gershon, H.; Clarke, D. D.; Gershon, M. Monatshefte fuer Chemie, 1993 , vol. 124, # 4 p. 367 - 380
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Route3
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50-00-0
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76097-73-9
- ~57%
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In-stock
67927-44-0
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76088-29-4
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In-stock
791-28-6
References
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Chemistry of Natural Compounds, , vol. 16, # 4 p. 403 - 405 Khimiya Prirodnykh Soedinenii, , vol. 16, # 4 p. 553 - 556
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 35.14
- LogP 1.894
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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