Lot numbers can be found on the outside label of a product:
4,4-Dimethyl-6-ethynylthiochroman
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CAS No. 118292-06-1
- Cat. No. CS-M1837
- Purity≥97%
- MDL No.MFCD00902029
*For research and further manufacturing use only, not for direct human use.
Structure of 118292-06-1
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General Information
- CAS No. 118292-06-1
- Cat. No. CS-M1837
- Purity ≥97%
- MDL No. MFCD00902029
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₄S
- Molecular Weight 202.32
- Synonym(s) Tazarotene Intermediates
- SMILES CC1(C)C2=CC(C#C)=CC=C2SCC1
Description
4,4-Dimethyl-6-ethynylthiochroman features a rigid thiochroman core with a terminal alkyne group at the 6-position, enabling efficient copper-catalyzed coupling reactions. The dimethyl substitution at C4 enhances steric protection and metabolic stability, while the ethynylthio moiety provides a versatile handle for conjugation in synthetic biology and medicinal chemistry applications.
Application
4,4-Dimethyl-6-ethynylthiochroman serves as a versatile scaffold for the synthesis of functionalized heterocycles and bioactive molecules. Its conjugated ethynylthiochroman core enables efficient transition-metal-catalyzed coupling reactions, while the sterically hindered dimethyl groups enhance stability and reduce side reactivity. The compound functions as a robust building block in medicinal chemistry workflows, facilitating access to complex architectures with high regioselectivity and excellent bench stability.
Synthesis
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Route1
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864841-55-4 - ~83%
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In-stock
118292-06-1
References
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SOLMAG S.p.A. Patent: EP1700855 A1, 2006 ; Location in patent: Page/Page column 6 ;
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Route2
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1187617-88-4
- ~92%
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In-stock
118292-06-1
References
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INDOCO REMEDIES LIMITED Patent: WO2009/116075 A2, 2009 ; Location in patent: Page/Page column 11 ;
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Route3
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814-49-3
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In-stock
88579-23-1 - ~%
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In-stock
118292-06-1
References
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US4810804 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 0
- LogP 3.4413
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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