Lot numbers can be found on the outside label of a product:
6-Bromo-4,4-dimethylthiochromane
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CAS No. 112110-44-8
- Cat. No. CS-0102818
- Purity≥97%
- MDL No.MFCD15144704
*For research and further manufacturing use only, not for direct human use.
Structure of 112110-44-8
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General Information
- CAS No. 112110-44-8
- Cat. No. CS-0102818
- Purity ≥97%
- MDL No. MFCD15144704
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₃BrS
- Molecular Weight 257.19
- Synonym(s) 6-Bromo-4,4-dimethylthiochroman
- SMILES CC1(C)CCSC2=CC=C(Br)C=C12
Description
6-Bromo-4,4-dimethylthiochromane is a sterically hindered heterocyclic scaffold featuring a bromine substituent at the 6-position and two methyl groups flanking the sulfur atom. This configuration imparts enhanced stability and facilitates selective functionalization in transition metal-catalyzed coupling reactions. The molecule's electron-deficient aromatic core enables efficient incorporation into complex molecular architectures.
Application
6-Bromo-4,4-dimethylthiochromane serves as a versatile building block for the synthesis of substituted heterocycles and bioactive molecules. The bromine at the 6-position enables palladium-catalyzed cross-coupling reactions, while the thiochromane core provides rigidity and favorable pharmacophoric properties. Bench-stable and readily purified by flash chromatography, it functions effectively in late-stage functionalization and scaffold diversification workflows.
Synthesis
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Route1
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127164-82-3 - ~%
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In-stock
112110-44-8
References
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SOLMAG S.p.A. Patent: EP1700855 A1, 2006 ; Location in patent: Page/Page column 5 ;
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Route2
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1360916-04-6
- ~%
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In-stock
112110-44-8
References
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MERCK SHARP and DOHME CORP.; DUFFY, Joseph, L.; BAO, Jianming; ONDEYKA, Debra, L.; TYAGARAJAN, Sriram; SHAO, Patrick; YE, Feng; KATIPALLY, Revathi; ZWICKER, Aaron; SHERER, Edward, C.; PLOTKIN, Michael A.; MONINGKA, Remond; HUSSIAN, Zahid; WOOD, Harold B.; UJJAINWALLA, Feroze; ROMERO, Anthony; FINKE, Paul; ZANG, Yi; LIU, Weiguo Patent: WO2012/24183 A1, 2012 ; Location in patent: Page/Page column 187-188 ; WO 2012/024183 A1
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Route3
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66165-06-8 - ~%
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In-stock
112110-44-8
References
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Allergan, Inc. Patent: US5420295 A1, 1995 ;
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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
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 0
- LogP 4.2225
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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