Lot numbers can be found on the outside label of a product:
Anisole, 4-bromo-2-iodo-
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CAS No. 98273-59-7
- Cat. No. CS-0028792
- Purity≥95%
- MDL No.MFCD13186707
*For research and further manufacturing use only, not for direct human use.
Structure of 98273-59-7
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General Information
- CAS No. 98273-59-7
- Cat. No. CS-0028792
- Purity ≥95%
- MDL No. MFCD13186707
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrIO
- Molecular Weight 312.93
- Synonym(s) Benzene, 4-broMo-2-iodo-1-Methoxy-
- SMILES COC1=CC=C(Br)C=C1I
Description
4-Bromo-2-iodo-1-methoxybenzene features a strategically positioned methoxy group that enhances solubility and directs electrophilic substitution, while the bromo and iodo substituents enable efficient cross-coupling reactions. This ortho-disubstituted aromatic scaffold supports modular synthesis in medicinal chemistry and materials science.
Application
4-Bromo-2-iodo-1-methoxybenzene serves as a versatile building block in palladium-catalyzed cross-coupling reactions, enabling sequential functionalization at multiple positions. The methoxy group provides electronic modulation and enhanced solubility, while the bromo and iodo substituents offer orthogonal reactivity for sequential coupling processes. This compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for the synthesis of complex aromatic scaffolds in medicinal chemistry and materials science applications.
Synthesis
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Route1
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104-92-7 - ~99%
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In-stock
98273-59-7
References
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Uchiyama, Masanobu; Kobayashi, Yuri; Furuyama, Taniyuki; Nakamura, Shinji; Kajihara, Yumiko; Miyoshi, Tomoko; Sakamoto, Takao; Kondo, Yoshinori; Morokuma, Keiji Journal of the American Chemical Society, 2008 , vol. 130, # 2 p. 472 - 480
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Route2
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In-stock
207115-22-8 -
74-88-4
- ~94%
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In-stock
98273-59-7
References
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Pfizer Limited; Omoto, Kiyoyuki; Owen, Robert McKenzie; Pryde, David Cameron; Watson, Christine Ann Louise; Takeuchi, Mifune Patent: US2014/171435 A1, 2014 ; Location in patent: Page/Page column ;
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Route3
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In-stock
21702-84-1 - ~%
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In-stock
98273-59-7
References
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Nishiyama, Hisao; Isaka, Kojun; Itoh, Kenji; Ohno, Kiyotaka; Nagase, Hiroshi; et al. Journal of Organic Chemistry, 1992 , vol. 57, # 1 p. 407 - 410
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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 9.23
- LogP 3.0623
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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