(3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid | CAS No. 865231-46-5

(3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid

Basic Information

CAS Number

865231-46-5

Molecular Formula

C26H21F3O3

Molecular Weight

30.07 g/mol

AD

Basic Physical Properties

CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1

InChIKey

ZOPNBMMVVZRSGH-NRFANRHFSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

661

Synonyms & References

English

  • AKOS016009081
  • MFCD23703041
  • CS-3278
  • (3S)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
  • UNII-NE6U6R66U4
  • NCGC00386948-01
  • AS-51920
  • AMG837
  • (3S)-3-(4-{[4'-(TRIFLUOROMETHYL)-[1,1'-BIPHENYL]-3-YL]METHOXY}PHENYL)HEX-4-YNOIC ACID
  • BENZENEPROPANOIC ACID, .BETA.-1-PROPYN-1-YL-4-((4'-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-3-YL)METHOXY)-, (.BETA.S)-
  • AMG 837
  • BDBM50362690
  • (S)-3-(4-((4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoic acid
  • NE6U6R66U4
  • P13904
  • Q27074441
  • CHEMBL1829173
  • EN300-313172
  • AC-30223
  • NCGC00386948-02
  • Z2289809643
  • EX-A1792
  • (3S)-3-(4-{[4'-(Trifluoromethyl)[biphenyl]-3-yl]methoxy}phenyl)-4-hexynoic acid
  • AMG-837
  • ZOPNBMMVVZRSGH-NRFANRHFSA-N
  • GTPL6485
  • SCHEMBL12194429
  • (3S)-3-[4-({3-[4-(trifluoromethyl)phenyl]phenyl}methoxy)phenyl]hex-4-ynoic acid
  • DTXSID00676764
  • HY-13967
  • 865231-46-5

MDL Number

MFCD23703041

FAQ

What are the physical and chemical properties of (3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5)?

(3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5) is a crystalline solid with a molecular weight of approximately 506.5 g/mol. It has limited water solubility and is moderately soluble in organic solvents such as dichloromethane and acetonitrile. The compound is highly reactive due to its alkyne and methoxy functionalities. It is not flammable but should be handled in a well-ventilated area or fume hood to prevent inhalation of vapors.

How is (3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5) typically synthesized?

(3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5) can be synthesized via a multi-step process involving the protection of hydroxyl groups, alkylation, and subsequent deprotection. Commonly, sodium hydride is used as a base, and trifluoromethylated biphenyl is reacted with hexynoic acid derivatives. The exact conditions and reagents may vary depending on the specific synthesis route chosen.

What industries use (3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5)?

(3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5) is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in polymer chemistry for its functional groups that can be utilized in cross-linking and functionalization reactions. Additionally, it could be used in sensor development due to its reactivity and specific chemical functionalities.

What precautions should be taken when handling (3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5)?

When handling (3S)-3-(4-{[4'-(Trifluoromethyl)-3-biphenylyl]methoxy}phenyl)-4-hexynoic acid (CAS: 865231-46-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation of vapors. Spills should be handled with caution using appropriate absorbent materials, and the substance should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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