3-Phenylpropiolic acid

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Names

[ CAS No. ]:
637-44-5

[ Name ]:
3-Phenylpropiolic acid

[Synonym ]:
MFCD00004361
2-Propynoic acid, 3-phenyl-
β-phenylpropargylic acid
3-Phenyl-2-propynoic acid
3-phenyl-propiolic acid
phenylpropiolic acid
b-phenylpropargylic acid
EINECS 211-285-8
3-Phenylprop-2-ynoic acid
phenyl-propiolic acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
302.6±15.0 °C at 760 mmHg

[ Melting Point ]:
135-137 °C(lit.)

[ Molecular Formula ]:
C₉H₆O₂

[ Molecular Weight ]:
146.143

[ Flash Point ]:
151.0±16.9 °C

[ Exact Mass ]:
146.036774

[ PSA ]:
37.30000

[ LogP ]:
2.61

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.603

[ Storage condition ]:
0-6°C

[ Water Solubility ]:
freely soluble

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Iodobenzene
Propiolic acidd
Carbon dioxide
Phenylacetylene
3-Phenyl-2-propyn-1-ol
Ethyl 3-phenyl-2-propynoate
Bromobenzene
phenylpropynal
phenylethynylmagnesium bromide
trimethylsilylethynylbenzene

DownStream

5-chloro-2-phenyl-1,3-benzoxazole
(4-methoxyphenyl) 3-phenylprop-2-ynoate
2-(DIMETHYLAMINO)ETHANETHIOL
N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-3-phenylpropiolamide
1-(3-phenylprop-2-ynyl)pyrrolidine
1,5-diphenylpent-4-yne-1,3-dione
4-methoxy-2-phenyl-1,5-benzothiazepine
ethyl 2-(2-phenylethynyl)benzoate
Methyl 3-phenyl-2-propynoate
2-Propyn-1-one,3-phenyl-1-(1-piperidinyl)-

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain α-ketoacid dehydrogenase kinase.

Proc. Natl. Acad. Sci. U. S. A. 110(24) , 9728-33, (2013)

The branched-chain amino acids (BCAAs) leucine, isoleucine, and valine are elevated in maple syrup urine disease, heart failure, obesity, and type 2 diabetes. BCAA homeostasis is controlled by the mit...

Carbon isotope fractionation in the decarboxylation of phenylpropiolic acid in hydrogen donating media.

Isotopes Environ. Health Stud. 37(3) , 239-52, (2001)

13C kinetic isotope effect (KIE) in the decarboxylation of phenylpropiolic acid (PPA) in tetralin medium (Tn) has been determined at 409-432 K and found to be of magnitude similar to the 13C KIE obser...

Inactivation of peptidylglycine α-hydroxylating monooxygenase by cinnamic acid analogs.

J. Enzyme Inhib. Med. Chem. 31 , 551-62, (2016)

Peptidylglycine α-amidating monooxygenase (PAM) is a bifunctional enzyme that catalyzes the final reaction in the maturation of α-amidated peptide hormones. Peptidylglycine α-hydroxylating monooxygena...