Lot numbers can be found on the outside label of a product:
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
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CAS No. 108354-78-5
- Cat. No. CS-0042661
- Purity≥97%
- MDL No.MFCD00130099
*For research and further manufacturing use only, not for direct human use.
![Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|CS-0042661](https://file.chemscene.com/productPIC/CS-0042661.gif)
Structure of 108354-78-5
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General Information
- CAS No. 108354-78-5
- Cat. No. CS-0042661
- Purity ≥97%
- MDL No. MFCD00130099
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂S
- Molecular Weight 211.28
- Synonym(s) Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- SMILES O=C(C1=C(N)SC2=C1CCCC2)OC
Description
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate features a saturated thiophene core with a strategically positioned amino group and ester functionality. This scaffold integrates readily into medicinal chemistry campaigns, offering enhanced solubility and metabolic stability compared to aromatic analogs. The compound serves as a key intermediate in the synthesis of bioactive heterocycles, particularly within kinase inhibitor and CNS-targeted drug discovery programs.
Application
Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and process development. The molecule combines a readily functionalizable amine, a stable tetrahydrothiophene core, and a methyl ester group compatible with standard transformations. It facilitates efficient synthesis of substituted benzothiophenes and scaffolds relevant to kinase inhibitors and CNS-targeted therapeutics. Bench-stable and amenable to purification by standard chromatography or recrystallization, it enables robust downstream derivatization in multi-step sequences.
Synthesis
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Route1
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108-94-1 -
105-56-6
- ~76%
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In-stock
108354-78-5
References
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PRESIDENT AND FELLOWS OF HARVARD COLLEGE; FINLEY, Daniel; KING, Randall, W.; LEE, Byung-Hoon; LEE, Min, Jae; GAHMAN, Timothy, C. Patent: WO2012/12712 A2, 2012 ; Location in patent: Page/Page column 47-48 ;
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Route2
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108-94-1
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In-stock
105-34-0 - ~87%
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In-stock
108354-78-5
References
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The Dang, Hung; Chorell, Erik; Uvell, Hanna; Pinkner, Jerome S.; Hultgren, Scott J.; Almqvist, Fredrik Organic and Biomolecular Chemistry, 2014 , vol. 12, # 12 p. 1942 - 1956
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Route3
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67-56-1
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108-94-1
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372-09-8
- ~88%
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In-stock
108354-78-5
References
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Zhang, Haiqing; Yang, Guichun; Chen, Jianian; Chen, Zuxing Journal of Chemical Research, 2004 , # 5 p. 360 - 361
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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 52.32
- LogP 1.9957
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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