Lot numbers can be found on the outside label of a product:
N-Boc benzylamine
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CAS No. 42116-44-9
- Cat. No. CS-0187579
- Purity≥98%
- MDL No.MFCD05148681
*For research and further manufacturing use only, not for direct human use.
Structure of 42116-44-9
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General Information
- CAS No. 42116-44-9
- Cat. No. CS-0187579
- Purity ≥98%
- MDL No. MFCD05148681
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₇NO₂
- Molecular Weight 207.27
- Synonym(s) Tert-butyl benzylcarbamate
- SMILES CC(C)(OC(NCC1=CC=CC=C1)=O)C
Description
N-Boc benzylamine features a protected amine group enabling stable incorporation into synthetic sequences. The benzyl moiety provides a convenient handle for orthogonal deprotection and further functionalization. This bench-stable reagent integrates efficiently in peptide coupling and medicinal chemistry workflows.
Application
N-Boc benzylamine serves as a versatile amino building block in synthetic organic chemistry, enabling efficient incorporation of the benzylamino moiety into complex molecules. The Boc group provides excellent stability under basic conditions and can be selectively removed via mild acid treatment, facilitating downstream functionalization. Its compatibility with diverse coupling reactions and robust bench stability make it a practical choice for peptide synthesis, medicinal chemistry campaigns, and heterocycle construction.
Synthesis
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Route1
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In-stock
24424-99-5 -
100-46-9 - ~99%
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In-stock
42116-44-9
References
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Sunitha, Sadula; Kanjilal, Sanjit; Reddy, P. Srinivasa; Prasad, Rachapudi B.N. Tetrahedron Letters, 2008 , vol. 49, # 16 p. 2527 - 2532
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Route2
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In-stock
24424-99-5
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622-79-7
- ~91%
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In-stock
42116-44-9
References
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Chandrasekhar; Chandraiah; Raji Reddy; Venkat Reddy Chemistry Letters, 2000 , # 7 p. 780 - 781
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Route3
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100-46-9
- ~98%
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In-stock
42116-44-9
References
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Rhone Poulenc Rorer S.A. Patent: US5290957 A1, 1994 ;
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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
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Precautionary Statements : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 38.33
- LogP 2.7113
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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