Lot numbers can be found on the outside label of a product:
Methyl benzo[d]thiazole-6-carboxylate
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CAS No. 73931-63-2
- Cat. No. CS-0187525
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
![Methyl benzo[d]thiazole-6-carboxylate|CS-0187525](https://file.chemscene.com/productPIC/CS-0187525.gif)
Structure of 73931-63-2
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General Information
- CAS No. 73931-63-2
- Cat. No. CS-0187525
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₂S
- Molecular Weight 193.22
- Synonym(s) 6-Benzothiazolecarboxylicacid,methylester(9CI)
- SMILES COC(=O)C1=CC2=C(C=C1)N=CS2
Description
Methyl benzo[d]thiazole-6-carboxylate features a fused benzothiazole core with a methyl ester at the 6-position, delivering enhanced solubility and stability under standard conditions. This electron-deficient heterocycle integrates readily into synthetic sequences requiring robust aromatic scaffolds.
Application
Methyl benzo[d]thiazole-6-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically relevant thiazole-containing scaffolds. Its carboxylate functionality facilitates direct derivatization via ester hydrolysis or coupling reactions, while the fused benzothiazole core offers enhanced metabolic stability and favorable pharmacophore geometry for target engagement. The compound exhibits excellent bench stability and is compatible with standard synthetic protocols, including Suzuki-Miyaura and Buchwald-Hartwig couplings, making it ideal for modular library synthesis.
Synthesis
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Route1
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In-stock
![Benzo[d]thiazole-6-carboxylic acid|CS-W017274](https://file.chemscene.com/productPIC/CS-W017274.gif)
3622-35-3 -
18107-18-1 - ~79%
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In-stock
73931-63-2
References
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Roche Palo Alto LLC Patent: US2006/40927 A1, 2006 ; Location in patent: Page/Page column 38 ; US 20060040927 A1
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Route2
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186581-53-3
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In-stock
3622-35-3
- ~93%
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In-stock
73931-63-2
References
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: WO2009/75778 A2, 2009 ; Location in patent: Page/Page column 49-50 ;
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Route3
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67-56-1
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In-stock
3622-35-3
- ~%
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In-stock
73931-63-2
References
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Lynch, John K.; Collins, Christine A.; Freeman, Jennifer C.; Gao, Ju; Iyengar, Rajesh R.; Judd, Andrew S.; Kym, Philip R.; Mulhern, Mathew M.; Sham, Hing L.; Souers, Andrew J.; Zhao, Gang; Wodka, Dariusz Patent: US2005/209274 A1, 2005 ; Location in patent: Page/Page column 35-36 ; US 20050209274 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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 2.0829
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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