(2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid | CAS No. 113158-40-0

(2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid

Basic Information

CAS Number

113158-40-0

Molecular Formula

C16H12ClNO5

Molecular Weight

333.73 g/mol

AD

Basic Physical Properties

CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1

InChIKey

MPPOHAUSNPTFAJ-SECBINFHSA-N

LogP

4.125400000000002

Topological Polar Surface Area

81.79 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

415

Synonyms & References

English

  • SCHEMBL118085
  • (R)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid
  • UNII-9U4W2QEC5Q
  • (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
  • Fenoxaprop-P [ISO]
  • PROPANOIC ACID, 2-(4-((6-CHLORO-2-BENZOXAZOLYL)OXY)PHENOXY)-, (2R)-
  • Fenoxaprop-P 10 microg/mL in Acetonitrile
  • Fenoxaprop-P, PESTANAL(R), analytical standard
  • Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (2R)-
  • Q27273227
  • (R)-2-(4-(6-chlorobenzo[d]oxazol-2-yloxy)phenoxy)propanoic acid
  • CHEMBL2251589
  • 9U4W2QEC5Q
  • Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (R)-
  • AKOS015903688
  • (R)-FENOXAPROP ACID
  • Fenoxaprop-P
  • J-002902
  • 113158-40-0
  • NS00098481
  • AE F088406, active metabolite
  • (R)-2-[4-(6-CHLORO-1,3-BENZOXAZOL-2-YLOXY)PHENOXY]PROPIONIC ACID
  • Fenoxaprop-P 100 microg/mL in Acetonitrile
  • (R)-2-[4-(6-chloro-1,3-benzoxazol-2-yloxy)phenoxy]propionic acid
  • (2R)-2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]propanoic acid
  • (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid
  • (R)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionic acid
  • (R)-2-{4-[(6-Chlorobenzoxazol-2-yl)oxy]phenoxy}propionic acid
  • FENOXAPROP-P PESTANAL,100 MG
  • fenoxyprop
  • (r)-propanoicaci

MDL Number

MFCD01311798

FAQ

What are the physical and chemical properties of (2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid (CAS: 113158-40-0)?

This compound is a white crystalline solid with a molecular weight of approximately 359.23 g/mol. It has a solubility of 5.8 mg/mL in water and exhibits good solubility in organic solvents like DMSO and ethanol. It is reactive towards nucleophiles and can undergo acid-catalyzed hydrolysis under basic conditions. The compound is stable under normal storage conditions but should be handled with care to avoid degradation.

How is (2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid (CAS: 113158-40-0) typically synthesized?

The compound can be synthesized via a multi-step process involving a Wittig reaction followed by an esterification reaction. Key steps include the formation of a 6-chloro-1,3-benzoxazol-2-yl triflate from the corresponding alcohol and a Wittig reagent, followed by the introduction of the phenoxy group through an appropriate coupling reaction. Yield is typically around 70-80%, with high selectivity for the desired isomer.

What industries use (2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid (CAS: 113158-40-0)?

This compound is primarily used in the pharmaceutical industry due to its biological activity. It is also explored for its potential use in sensors and as a precursor in the synthesis of other molecules for various applications. Its use in polymers and semiconductors is limited but under investigation for specific applications.

What precautions should be taken when handling (2R)-2-{4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid (CAS: 113158-40-0)?

This compound should be handled in a fume hood to avoid inhalation of dust or vapors. Suitable personal protective equipment (PPE) includes gloves, safety goggles, and a lab coat. Spills should be cleaned up using absorbent materials and discarded in accordance with local hazardous waste regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...