Lot numbers can be found on the outside label of a product:
Methyl 4'-aminobiphenyl-4-carboxylate
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CAS No. 5730-76-7
- Cat. No. CS-0206132
- Purity≥98%
- MDL No.MFCD02628073
*For research and further manufacturing use only, not for direct human use.
Structure of 5730-76-7
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General Information
- CAS No. 5730-76-7
- Cat. No. CS-0206132
- Purity ≥98%
- MDL No. MFCD02628073
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₃NO₂
- Molecular Weight 227.26
- Synonym(s) Methyl 4'-amino[1,1'-biphenyl]-4-carboxylate
- SMILES COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N
Description
Methyl 4'-aminobiphenyl-4-carboxylate features a biphenyl scaffold with an electron-rich para-aminophenyl group and a methyl ester at the opposite terminus. This configuration enables direct integration into conjugated systems, offering enhanced solubility and stability under standard conditions. The molecule serves as a key building block for functionalized arylamines in materials chemistry and pharmaceutical intermediates.
Application
Methyl 4'-aminobiphenyl-4-carboxylate serves as a versatile building block in the synthesis of biaryl-containing pharmaceutical intermediates and functional materials. The molecule combines an electron-rich biphenyl core with a pendant methyl ester and para-amino group, enabling diverse transformations including amidation, Suzuki-Miyaura coupling, and electrophilic substitution. Its bench-stable nature and compatibility with common protecting group strategies facilitate efficient downstream derivatization in medicinal chemistry and process development workflows.
Synthesis
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Route1
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![Methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate|CS-0465871](https://file.chemscene.com/productPIC/CS-0465871.gif)
5730-75-6 - ~91%
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In-stock
5730-76-7
References
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Venkatraj, Muthusamy; Messagie, Jonas; Joossens, Jurgen; Lambeir, Anne-Marie; Haemers, Achiel; Van Der Veken, Pieter; Augustyns, Koen Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 4 p. 1557 - 1568
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Route2
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106-40-1 -
In-stock
99768-12-4 - ~22%
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In-stock
5730-76-7
References
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Wang, Wen-Long; Huang, Chao; Gao, Li-Xin; Tang, Chun-Lan; Wang, Jun-Qing; Wu, Min-Chen; Sheng, Li; Chen, Hai-Jun; Nan, Fa-Jun; Li, Jing-Ya; Li, Jia; Feng, Bainian Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 8 p. 1889 - 1894
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Route3
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In-stock
![4'-Nitro-[1,1'-biphenyl]-4-carboxylic acid|CS-0157586](https://file.chemscene.com/productPIC/CS-0157586.gif)
92-89-7 - ~%
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In-stock
5730-76-7
References
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Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07,GHS08
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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 2.7224
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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