Lot numbers can be found on the outside label of a product:
4-Chloro-N-methylbenzylamine
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CAS No. 104-11-0
- Cat. No. CS-W002118
- Purity≥95%
- MDL No.MFCD00018749
*For research and further manufacturing use only, not for direct human use.
Structure of 104-11-0
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General Information
- CAS No. 104-11-0
- Cat. No. CS-W002118
- Purity ≥95%
- MDL No. MFCD00018749
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀ClN
- Molecular Weight 155.63
- Synonym(s) P-CHLORO-N-METHYLBENZYLAMINE
- SMILES CNCC1=CC=C(Cl)C=C1
Description
4-Chloro-N-methylbenzylamine features a para-chlorinated benzyl scaffold with a tertiary amine handle, enabling direct incorporation into pharmaceutical intermediates. The electron-withdrawing chlorine substituent enhances electrophilic reactivity at the aromatic ring while the N-methyl group improves metabolic stability and solubility in organic media. This bifunctional architecture supports efficient coupling reactions under mild conditions.
Application
4-Chloro-N-methylbenzylamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its benzylic amine functionality exhibits excellent reactivity in coupling and cyclization reactions, while the ortho-chloro substituent provides a handle for further derivatization via palladium-catalyzed cross-coupling. The N-methyl group enhances metabolic stability and modulates basicity, improving membrane permeability. Bench-stable and readily purified by distillation or chromatography, it functions efficiently in standard synthetic workflows.
Synthesis
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Route1
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104-83-6 -
74-89-5
- ~83%
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In-stock
104-11-0
References
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Zishiri, Vincent K.; Hunter, Roger; Smith, Peter J.; Taylor, Dale; Summers, Robert; Kirk, Kiaran; Martin, Rowena E.; Egan, Timothy J. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 5 p. 1729 - 1742
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Route2
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13114-22-2 - ~99%
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In-stock
104-11-0
References
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Piazzi, Lorna; Belluti, Federica; Bisi, Alessandra; Gobbi, Silvia; Rizzo, Stefano; Bartolini, Manuela; Andrisano, Vincenza; Recanatini, Maurizio; Rampa, Angela Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 1 p. 575 - 585
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Route3
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In-stock
104-88-1 - ~%
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In-stock
104-11-0
References
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Tetrahedron, , vol. 60, # 3 p. 569 - 575
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 2735
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H314-H318
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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 12.03
- LogP 2.0594
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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