2,2-Difluoro-1-methylcyclopropanecarboxylic acid

Name: 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 128073-33-6
Cat. No. CS-W000391
Purity≥98%
MDL No.MFCD07777163

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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-Difluoro-1-methylcyclopropanecarboxylic acid|CS-W000391

Structure of 128073-33-6

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General Information

CAS No. 128073-33-6
Cat. No. CS-W000391
Purity ≥98%
MDL No. MFCD07777163
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₆F₂O₂
Molecular Weight 136.10
Synonym(s) 2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
SMILES OC(=O)C1(C)CC1(F)F

Description

This cyclopropanecarboxylic acid features a sterically constrained ring system with dual fluorine substituents at the geminal position, enhancing metabolic stability and lipophilicity. The methyl group at C1 introduces electronic modulation, while the carboxylic acid functionality enables direct coupling in peptide synthesis or derivatization for bioactive molecule design.

Application

2,2-Difluoro-1-methylcyclopropanecarboxylic acid serves as a valuable building block in medicinal chemistry, enabling the introduction of a rigid, electron-deficient cyclopropane motif into bioactive molecules. Its difluoromethylcyclopropane core enhances metabolic stability and modulates lipophilicity, while the carboxylic acid functionality facilitates direct derivatization or salt formation. The compound exhibits good bench stability and compatibility with standard coupling reactions, making it suitable for use in peptide synthesis, macrocyclization, and scaffold diversification workflows.

Synthesis

Route1
- 59164-21-5
- ~75%
- In-stock
  
  128073-33-6
References
- Bayer Aktiengesellschaft Patent: US5047415 A1, 1991 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

TPSA 37.3
LogP 1.1163
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-Difluoro-1-methylcyclopropanecarboxylic acid

CAS No. 128073-33-6

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