3-Phenyl(2,2-2H2)propanoic acid

Modify Date: 2024-01-10 10:10:25

3-Phenyl(2,2-2H2)propanoic acid Structure
3-Phenyl(2,2-2H2)propanoic acid structure
Common Name 3-Phenyl(2,2-2H2)propanoic acid
CAS Number 19136-97-1 Molecular Weight 152.187
Density 1.1±0.1 g/cm3 Boiling Point 280.0±0.0 °C at 760 mmHg
Molecular Formula C9H8D2O2 Melting Point N/A
MSDS N/A Flash Point 170.0±13.9 °C

 Use of 3-Phenyl(2,2-2H2)propanoic acid


Hydrocinnamic acid-d2 is the deuterium labeled Hydrocinnamic acid[1]. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities[2].

 Names

Name hydrocinnamic-2,2-d2 acid
Synonym More Synonyms

 3-Phenyl(2,2-2H2)propanoic acid Biological Activity

Description Hydrocinnamic acid-d2 is the deuterium labeled Hydrocinnamic acid[1]. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities[2].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Tang CS, et al. Collection and Identification of Allelopathic Compounds from the Undisturbed Root System of Bigalta Limpograss (Hemarthria altissima). Plant Physiol. 1982 Jan;69(1):155-60.  

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 280.0±0.0 °C at 760 mmHg
Molecular Formula C9H8D2O2
Molecular Weight 152.187
Flash Point 170.0±13.9 °C
Exact Mass 152.080627
PSA 37.30000
LogP 1.84
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.542

 Synthetic Route

~61%

3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: COLORADO STATE UNIVERSITY RESEARCH FOUNDATION Patent: US2011/224431 A1, 2011 ; Location in patent: Page/Page column 9 ;

~86%

3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Kadam; Desai; Mane Journal of Labelled Compounds and Radiopharmaceuticals, 1999 , vol. 42, # 9 p. 835 - 842

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3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Kwart, H.; Brechbiel, M.; Miles, W.; Kwart, L.D. Journal of Organic Chemistry, 1982 , vol. 47, # 23 p. 4524 - 4528

~63%

3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: MacLean, Micheal J.; Walker, Scott; Wang, Tianfang; Eichinger, Peter C. H.; Sherman, Patrick J.; Bowie, John H. Organic and Biomolecular Chemistry, 2010 , vol. 8, # 2 p. 371 - 377

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3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Fu, Tai Y.; Scheffer, John R.; Trotter, James Tetrahedron Letters, 1994 , vol. 35, # 20 p. 3235 - 3238

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3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Tordeux, Marc; Marival-Hodebar, Laurence; Pouet, Marie-Josee; Halle, Jean-Claude; Wakselman, Claude Journal of Fluorine Chemistry, 2001 , vol. 111, # 2 p. 147 - 152

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3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Maas, Wilfrid P. M.; Veelen, Peter A. van; Nibbering, Nico M. M. Organic Mass Spectrometry, 1989 , vol. 24, p. 546 - 558

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3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Maas, Wilfrid P. M.; Veelen, Peter A. van; Nibbering, Nico M. M. Organic Mass Spectrometry, 1989 , vol. 24, p. 546 - 558

~%

3-Phenyl(2,2-2H2)propanoic acid Structure

3-Phenyl(2,2-2H...

CAS#:19136-97-1

Literature: Maas, Wilfrid P. M.; Veelen, Peter A. van; Nibbering, Nico M. M. Organic Mass Spectrometry, 1989 , vol. 24, p. 546 - 558

 Synonyms

Benzenepropanoic-α,α-d acid
3-phenylpropionic-2,2-d2 acid
3-Phenyl(2,2-H)propanoic acid
2,2-dideuterio-2-hydroxy-acetic acid
2,2-dideuterio-3-phenylpropanoic acid