2′-Methyl[1,1′-biphenyl]-3-carboxylic acid

Name: 2′-Methyl[1,1′-biphenyl]-3-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 168618-44-8
Cat. No. CS-0207468
Purity≥98%
MDL No.MFCD03424589

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2′-Methyl[1,1′-biphenyl]-3-carboxylic acid|CS-0207468

Structure of 168618-44-8

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General Information

CAS No. 168618-44-8
Cat. No. CS-0207468
Purity ≥98%
MDL No. MFCD03424589
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₂O₂
Molecular Weight None
Synonym(s) 3-(2-methylphenyl)benzoic acid
SMILES CC1=CC=CC=C1C2=CC(=CC=C2)C(=O)O

Description

2′-Methyl[1,1′-biphenyl]-3-carboxylic acid features a sterically hindered biphenyl scaffold with a methyl group at the 2′-position and a carboxylic acid at the 3-position, delivering enhanced solubility and metabolic stability. This configuration enables efficient coupling in transition metal-catalyzed reactions and supports the construction of complex biaryl architectures in medicinal chemistry and materials science.

Application

2′-Methyl[1,1′-biphenyl]-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of biaryl scaffolds with defined steric and electronic properties. The carboxylic acid functionality facilitates direct coupling reactions, while the methyl group at the 2′-position provides moderate steric hindrance and enhances metabolic stability. This compound exhibits good bench stability and functional group tolerance, making it suitable for iterative synthesis workflows and scale-up applications in API development.

Synthesis

Route1
- In-stock
  
  16419-60-6
- In-stock
  
  535-80-8
- ~93%
- In-stock
  
  168618-44-8
References
- Anderson, Kevin W.; Buchwald, Stephen L. Angewandte Chemie - International Edition, 2005 , vol. 44, # 38 p. 6173 - 6177
Route2
- In-stock
  
  585-76-2
- In-stock
  
  16419-60-6
- ~82%
- In-stock
  
  168618-44-8
References
- Korolev, Dmitrii N.; Bumagin, Nikolay A. Tetrahedron Letters, 2005 , vol. 46, # 34 p. 5751 - 5754

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P330-P363-P501

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 3.36022
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2′-Methyl[1,1′-biphenyl]-3-carboxylic acid

CAS No. 168618-44-8

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