2,2-Difluorocyclopropanecarboxylic acid

Name: 2,2-Difluorocyclopropanecarboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 107873-03-0
Cat. No. CS-B1034
Purity≥97%
MDL No.MFCD04115828

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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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2,2-Difluorocyclopropanecarboxylic acid|CS-B1034

Structure of 107873-03-0

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General Information

CAS No. 107873-03-0
Cat. No. CS-B1034
Purity ≥97%
MDL No. MFCD04115828
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄F₂O₂
Molecular Weight 122.07
Synonym(s) 2,2-Difluorocyclopropane-1-carboxylic Acid
SMILES O=C(C1C(F)(F)C1)O

Description

This difluorinated cyclopropane carboxylic acid features a strained three-membered ring with two fluorine atoms at the geminal position, conferring enhanced metabolic stability and unique electronic properties. The carboxylic acid group enables direct functionalization or salt formation, facilitating integration into bioactive molecules. Its rigid, electron-deficient structure makes it valuable for probing steric and electronic effects in medicinal chemistry and agrochemical design.

Application

2,2-Difluorocyclopropanecarboxylic acid serves as a valuable building block in medicinal chemistry, enabling the introduction of a rigid, electron-withdrawing difluoromethylene group into bioactive scaffolds. Its cyclopropane core imparts conformational constraint, while the carboxylic acid functionality facilitates direct derivatization or coupling reactions. The molecule exhibits good bench stability and is compatible with standard synthetic workflows, making it a practical choice for constructing fluorinated heterocycles and drug-like molecules requiring enhanced metabolic stability.

Synthesis

Route1
- 694-34-8
- ~77%
- In-stock
  
  107873-03-0
References
- Gassen, K. R.; Baasner, B. Journal of Fluorine Chemistry, 1990 , vol. 49, # 1 p. 127 - 139
Route2
- In-stock
  
  260352-79-2
- ~88%
- In-stock
  
  107873-03-0
References
- Dolbier Jr., William R.; Gautriaud, Emilie; Cai, Xiaohong Journal of Fluorine Chemistry, 2005 , vol. 126, # 3 p. 339 - 343

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 0.7262
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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2,2-Difluorocyclopropanecarboxylic acid

CAS No. 107873-03-0

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