Lot numbers can be found on the outside label of a product:
(E)-But-2-ene-1,4-diol
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CAS No. 821-11-4
- Cat. No. CS-B0322
- Purity≥96%
- MDL No.MFCD00063207
*For research and further manufacturing use only, not for direct human use.
Structure of 821-11-4
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General Information
- CAS No. 821-11-4
- Cat. No. CS-B0322
- Purity ≥96%
- MDL No. MFCD00063207
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₈O₂
- Molecular Weight 88.11
- Synonym(s) trans-1,4-Dihydroxy-2-butene
- SMILES OC/C=C/CO
Description
(E)-But-2-ene-1,4-diol is a conjugated diol featuring a trans-configured alkene linkage, offering enhanced stability and predictable stereochemical behavior. This scaffold enables selective transformations in synthetic routes requiring defined geometry. Its polar hydroxyl groups facilitate solubility in aqueous and protic media, supporting applications in organic synthesis and molecular design.
Application
(E)-But-2-ene-1,4-diol serves as a valuable synthon in organic synthesis, enabling stereoselective transformations via its conjugated diol system. Its stability under standard bench conditions and compatibility with common protecting group strategies facilitate efficient access to functionalized building blocks. The molecule functions effectively in coupling reactions, cycloadditions, and as a precursor to bioactive heterocyclic scaffolds through well-established protocols.
Synthesis
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Route1
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110-65-6 - ~99%
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In-stock
821-11-4
References
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Kiran; Wakamatsu, Hideaki; Natori, Yoshihiro; Takahata, Hiroki; Yoshimura, Yuichi Tetrahedron Letters, 2013 , vol. 54, # 30 p. 3949 - 3952
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Route2
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In-stock
623-91-6 - ~79%
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In-stock
821-11-4
References
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Hoang, Tram; Lauher, Joseph W.; Fowler, Frank W. Journal of the American Chemical Society, 2002 , vol. 124, # 36 p. 10656 - 10657
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Route3
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107-18-6
- ~54%
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In-stock
821-11-4
References
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Brendgen, Thomas; Fahlbusch, Tilmann; Frank, Markus; Schuehle, Daniel T.; Sessler, Miriam; Schatz, Juergen Advanced Synthesis and Catalysis, 2009 , vol. 351, # 3 p. 303 - 307
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Safety Information
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GHS Pictogram :
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GHS No : GHS07,GHS08
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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-H373-H402
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Precautionary Statements : P260-P264-P270-P273-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 40.46
- LogP 0.1633
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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