Lot numbers can be found on the outside label of a product:
tert-Butyl (2-amino-2-thioxoethyl)carbamate
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CAS No. 89226-13-1
- Cat. No. CS-0092582
- Purity≥95%
- MDL No.MFCD09025922
*For research and further manufacturing use only, not for direct human use.
Structure of 89226-13-1
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General Information
- CAS No. 89226-13-1
- Cat. No. CS-0092582
- Purity ≥95%
- MDL No. MFCD09025922
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₄N₂O₂S
- Molecular Weight 190.26
- Synonym(s) Thiocarbamoylmethyl-carbamic acid tert-butyl ester
- SMILES O=C(OC(C)(C)C)NCC(N)=S
Description
tert-Butyl (2-amino-2-thioxoethyl)carbamate features a thiourea moiety flanked by a protected amine and a robust tert-butyl carbamate group. This combination enables stable incorporation of aminothiol functionalities in peptide synthesis and chemical biology applications, offering enhanced solubility and resistance to premature deprotection under standard conditions.
Application
tert-Butyl (2-amino-2-thioxoethyl)carbamate serves as a versatile building block in peptide and heterocyclic synthesis, enabling efficient access to thioamido and thiourea functionalities. The protected amino group and thioxo handle exhibit robust stability under standard reaction conditions, facilitating selective transformations. Its compatibility with common coupling reagents and ease of purification make it ideal for iterative synthesis workflows in medicinal chemistry and API development.
Synthesis
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Route1
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In-stock
35150-09-5 - ~99%
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In-stock
89226-13-1
References
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SCHERING CORPORATION Patent: WO2005/121130 A2, 2005 ; Location in patent: Page/Page column 391-392 ; WO 2005/121130 A2
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Route2
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In-stock
85363-04-8 - ~89%
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In-stock
89226-13-1
References
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Abbott GmbH and Co., KG Patent: US6740647 B1, 2004 ; Location in patent: Page column 37 ; US 6740647 B1
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Route3
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In-stock
4530-20-5 - ~99%
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In-stock
89226-13-1
References
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Flentge, Charles A.; Chen, Hui-Ju; DeGoey, David A.; Flosi, William J.; Grampovnik, David J.; Huang, Peggy P.; Kempf, Dale J.; Klein, Larry L.; Krueger, Allan C.; Madigan, Darold L.; Randolph, John T.; Sun, Minghua; Yeung, Ming C.; Zhao, Chen Patent: US2005/131042 A1, 2005 ; Location in patent: Page/Page column 123 ;
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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 64.35
- LogP 0.7972
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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