1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid | CAS No. 862574-88-7

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid

Basic Information

CAS Number

862574-88-7

Molecular Formula

C11H8F2O4

Molecular Weight

242.18 g/mol

AD

Basic Physical Properties

OC(=O)C1(CC1)c2ccc3OC(F)(F)Oc3c2

InChI

InChI=1S/C11H8F2O4/c12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15/h1-2,5H,3-4H2,(H,14,15)

InChIKey

IELWGOUPQRHXLS-UHFFFAOYSA-N

LogP

2.1243

Topological Polar Surface Area

55.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

353

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
  • 1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid
  • 1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid
  • 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid
  • 1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylicacid
  • 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
  • Cyclopropanecarboxylic acid, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
  • 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid
  • 1-(2,2-D

MDL Number

MFCD13190001

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid (CAS: 862574-88-7)?

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid is a crystalline compound with a molecular weight of approximately 281.14 g/mol. It has low water solubility and is soluble in organic solvents. This compound exhibits moderate reactivity, particularly in esterification and amidation reactions. It is stable under normal conditions but may degrade at high temperatures or in strong bases.

How is 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid (CAS: 862574-88-7) typically synthesized?

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid is typically synthesized via a multi-step process involving the protection of a primary alcohol followed by ring closure, fluorination, and deprotection. Common synthetic methods include the use of protecting groups such as tert-butyldimethylsilyl (TBS) and fluorinated reagents like difluoromethyl sulfoxide (DMF-SO2). The overall yield can be around 50-70% depending on the reaction conditions and purification methods.

What industries use 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid (CAS: 862574-88-7)?

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid is used in the pharmaceutical industry for the synthesis of pharmaceutical intermediates. It also finds applications in the polymer industry as a monomer and in the development of advanced materials. This compound is also utilized in the field of chemical sensors due to its specific reactivity and stability under various conditions.

What precautions should be taken when handling 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid (CAS: 862574-88-7)?

When handling 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up according to standard laboratory procedures, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions. This compound is stable under normal conditions but should be stored away from heat sources and strong bases.

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