Lot numbers can be found on the outside label of a product:
Di-tert-butyl hydrogen phosphate
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CAS No. 33494-81-4
- Cat. No. CS-0154655
- Purity≥97%
- MDL No.MFCD08443810
*For research and further manufacturing use only, not for direct human use.
Structure of 33494-81-4
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General Information
- CAS No. 33494-81-4
- Cat. No. CS-0154655
- Purity ≥97%
- MDL No. MFCD08443810
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₉O₄P
- Molecular Weight 210.21
- Synonym(s) Phosphoricacid, di-tert-butyl ester (8CI)
- SMILES CC(C)(C)OP(=O)(O)OC(C)(C)C
Description
Di-tert-butyl hydrogen phosphate features a sterically shielded phosphate core, offering enhanced stability under ambient conditions. The bulky tert-butyl groups confer resistance to hydrolysis and minimize unwanted side reactions, enabling reliable use in synthetic transformations requiring robust phosphorus reagents.
Application
Di-tert-butyl hydrogen phosphate serves as a stable, bench-ready phosphorylating agent for selective introduction of phosphate groups under mild conditions. Its sterically hindered structure enhances functional group tolerance and simplifies purification, making it well-suited for use in synthetic sequences requiring orthogonal protection or the construction of phosphorus-containing heterocycles.
Synthesis
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Route1
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In-stock
13086-84-5 - ~92%
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In-stock
33494-81-4
References
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INSTITUTE FOR ONEWORLD HEALTH; NGUYEN, Tue; DE HOSTOS, Eugenio Patent: WO2013/19169 A1, 2013 ; Location in patent: Paragraph 0227; 0228 ;
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Route2
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In-stock
33494-80-3 - ~%
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In-stock
33494-81-4
References
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Helsinn Healthcare SA; Fadini, Luca; Manini, Peter; Pietra, Claudio; Giuliano, Claudio; Lovati, Emanuela; Cannella, Roberta; Venturini, Alessio; Stella, Valentino J. Patent: US8426450 B1, 2013 ; Location in patent: Page/Page column 33 ;
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Route3
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117924-33-1 - ~%
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In-stock
33494-81-4
References
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Dore, Timothy M.; Zhu, Yue; Reddie, Khalilah G.; Lauderdale, James D. Patent: US2010/48502 A1, 2010 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H314
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Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.76
- LogP 2.717
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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