4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid | CAS No. 742086-08-4

4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid

Basic Information

CAS Number

742086-08-4

Molecular Formula

C11H11FO3

Molecular Weight

210.2 g/mol

AD

Basic Physical Properties

O=C(O)C1=CC=C(OCC2CC2)C=C1F

InChI

InChI=1S/C11H11FO3/c12-10-5-8(15-6-7-1-2-7)3-4-9(10)11(13)14/h3-5,7H,1-2,6H2,(H,13,14)

InChIKey

VKUOOCAJGLYUED-UHFFFAOYSA-N

LogP

2.3127000000000004

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

  • 4-(Cyclopropylmethoxy)-2-Fluorobenzoic Acid
  • Benzoic acid, 4-(cyclopropylmethoxy)-2-fluoro-

MDL Number

MFCD24483798

FAQ

What are the physical and chemical properties of 4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid (CAS: 742086-08-4)?

4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid is a crystalline solid with a molecular weight of approximately 231.26 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases and reducing agents. Its pKa is around 4.5, indicating it is a weak acid.

How is 4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid (CAS: 742086-08-4) typically synthesized?

4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid can be synthesized via a multi-step process involving the protection of the aromatic ring, introduction of the cyclopropylmethoxy group, and subsequent deprotection. Commonly, Grignard reagents or organometallic compounds are used as catalysts. The overall yield is moderate, around 50-70%, and selectivity is high for the desired product.

What industries use 4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid (CAS: 742086-08-4)?

4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid is primarily used in the pharmaceutical industry for the synthesis of drug candidates. It also finds applications in polymer science for developing novel materials and in sensor technology for detection of specific chemicals. Its unique molecular structure makes it suitable for various advanced chemical processes.

What precautions should be taken when handling 4-(Cyclopropylmethoxy)-2-fluorobenzoic Acid (CAS: 742086-08-4)?

Precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be performed in a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures.

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