1-(p-Tolyl)cyclopentane-1-carboxylic acid

Name: 1-(p-Tolyl)cyclopentane-1-carboxylic acid
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CAS No. 80789-75-9
Cat. No. CS-0096826
Molecule weight204.26
Purity≥98%
MDL No.MFCD00044672

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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+
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1-(p-Tolyl)cyclopentane-1-carboxylic acid|CS-0096826

Structure of 80789-75-9

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General Information

CAS No. 80789-75-9
Cat. No. CS-0096826
Purity ≥98%
MDL No. MFCD00044672
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆O₂
Molecular Weight 204.26
Synonym(s) 1-(P-Tolyl)-1-Cyclopentanecarboxylic Acid
SMILES O=C(C1(C2=CC=C(C)C=C2)CCCC1)O

Description

1-(p-Tolyl)cyclopentane-1-carboxylic acid features a rigid cyclopentane core bearing a para-tolyl group and a carboxylic acid functional moiety, enabling direct integration into bioactive molecule scaffolds. The aromatic substituent enhances π-stacking potential, while the carboxylic acid facilitates conjugation or derivatization under standard conditions.

Application

1-(p-Tolyl)cyclopentane-1-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant scaffolds through standard functional group manipulations. Its cyclopentane core provides conformational rigidity, while the para-tolyl and carboxylic acid functionalities offer sites for derivatization and hydrogen bonding. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns and scale-up applications.

Synthesis

Route1
- 68983-70-0
- ~55%
- In-stock
  
  80789-75-9
References
- Roberts, Donald D.; Arant, Mark E. Journal of Organic Chemistry, 1994 , vol. 59, # 21 p. 6464 - 6469
Route2
- In-stock
  
  2947-61-7
- ~%
- In-stock
  
  80789-75-9
References
- Journal of Organic Chemistry, , vol. 59, # 21 p. 6464 - 6469

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 37.3
LogP 2.89142
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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1-(p-Tolyl)cyclopentane-1-carboxylic acid

CAS No. 80789-75-9

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