Lot numbers can be found on the outside label of a product:
Methyl (S)-3-bromo-2-methylpropanoate
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CAS No. 98190-85-3
- Cat. No. CS-0158189
- Purity≥95%
- MDL No.MFCD00064487
*For research and further manufacturing use only, not for direct human use.
Structure of 98190-85-3
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General Information
- CAS No. 98190-85-3
- Cat. No. CS-0158189
- Purity ≥95%
- MDL No. MFCD00064487
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₉BrO₂
- Molecular Weight 181.03
- Synonym(s) Methyl (S)-(-)-3-Bromo-2-methylpropionate
- SMILES C[C@H](CBr)C(=O)OC
Description
()-Methyl (S)-3-bromo-2-methylpropionate can be used:As a reference substrate in the alkylation reactions of vitamin B12 derivatives.As a starting material in the preparation of biologically significant 3-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]-2-methylpropanoic acids.
Application
Methyl (S)-3-bromo-2-methylpropanoate serves as a versatile chiral building block for asymmetric synthesis, enabling efficient access to β-branched amino acid derivatives and functionalized heterocycles. Its bromide functionality facilitates nucleophilic substitution under mild conditions, while the ester group supports selective transformations. The stereogenic center ensures high enantiomeric purity in downstream applications, making it ideal for medicinal chemistry and process-scale synthesis.
Synthesis
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Route1
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In-stock
72657-23-9 - ~83%
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In-stock
98190-85-3
References
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Cahiez, Gerard; Gager, Olivier; Moyeux, Alban; Delacroix, Thomas Advanced Synthesis and Catalysis, 2012 , vol. 354, # 8 p. 1519 - 1528
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Route2
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In-stock
80657-57-4 - ~71%
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In-stock
98190-85-3
References
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Nakamura, Eiichi; Sekiya, Kouichi; Kuwajima, Isao Tetrahedron Letters, 1987 , vol. 28, # 3 p. 337 - 340
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References
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Cahiez, Gerard; Gager, Olivier; Moyeux, Alban; Delacroix, Thomas Advanced Synthesis and Catalysis, 2012 , vol. 354, # 8 p. 1519 - 1528
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Safety Information
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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 : H227-H315-H319-H335
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Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.1904
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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