Lot numbers can be found on the outside label of a product:
(R)-Methyl 4-(1-aminoethyl)benzoate
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CAS No. 912342-10-0
- Cat. No. CS-B0181
- Purity≥97%
- MDL No.MFCD06762071
*For research and further manufacturing use only, not for direct human use.
Structure of 912342-10-0
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General Information
- CAS No. 912342-10-0
- Cat. No. CS-B0181
- Purity ≥97%
- MDL No. MFCD06762071
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂
- Molecular Weight 179.22
- Synonym(s) Methyl-4-[(1R)-1-aminoethyl]benzoat
- SMILES O=C(OC)C1=CC=C([C@@H](C)N)C=C1
Description
(R)-Methyl 4-(1-aminoethyl)benzoate features a chiral α-amino ester scaffold with high stereochemical purity, enabling selective incorporation into peptide mimetics and bioactive small molecules. The pendant amine facilitates conjugation and derivatization under mild conditions, while the aromatic core enhances metabolic stability and solubility in organic media. This bench-stable reagent streamlines access to enantioselective building blocks for medicinal chemistry campaigns.
Application
(R)-Methyl 4-(1-aminoethyl)benzoate serves as a chiral building block for medicinal chemistry, enabling efficient access to β-aryl-α-amino acid derivatives via standard peptide coupling and reduction protocols. Its bench-stable nature, combined with orthogonal functionality and high enantiomeric purity, facilitates straightforward incorporation into complex molecular architectures.
Synthesis
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Route1
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67-56-1 -
In-stock
1134776-39-8 - ~70%
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In-stock
912342-10-0
References
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Millennium Pharmaceuticals, Inc. Patent: US2011/212969 A1, 2011 ; Location in patent: Page/Page column 141 ; US 20110212969 A1
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Route2
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912342-01-9
- ~78%
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In-stock
912342-10-0
References
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Allwein, Shawn P.; McWilliams, J. Christopher; Secord, Elizabeth A.; Mowrey, Dale R.; Nelson, Todd D.; Kress, Michael H. Tetrahedron Letters, 2006 , vol. 47, # 36 p. 6409 - 6412
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Route3
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74733-31-6
- ~%
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In-stock
912342-10-0
References
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Tetrahedron Letters, , vol. 47, # 36 p. 6409 - 6412
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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 52.32
- LogP 1.4929
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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