Phenylpropiolic acid

Phenylpropiolic acid Basic information

Product Name:	Phenylpropiolic acid
Synonyms:	3-Phenylpropargylic acid;Benzenepropiolic acid;Phenylpropiolic acid,97%;Phenylpropiolic acid ,96%;Phenylpropiolic acid, 97% 5GR;3-phenyl-2-propynoate;PHENYLPROPIOLIC ACID CRYSTALLINE;Phenylpropiolic acid, 98+%
CAS:	637-44-5
MF:	C9H6O2
MW:	146.14
EINECS:	211-285-8
Product Categories:	Building Blocks;C9;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Aromatic Propionic Acids;Acetylenes;Acetylenic Alcohols & Their Derivatives;Diyne Compounds (LB Films);Functional Materials;LB Films;Acetylenic Carboxylic Acids & Their Derivatives
Mol File:	637-44-5.mol

Phenylpropiolic acid Chemical Properties

Melting point	135-137 °C (lit.)
Boiling point	225.74°C (rough estimate)
density	1.1674 (rough estimate)
refractive index	1.5550 (estimate)
storage temp.	2-8°C
pka	pK1:2.269 (35°C)
form	Fine Crystalline Powder
color	White to slightly beige
Water Solubility	freely soluble
BRN	742587
InChIKey	XNERWVPQCYSMLC-UHFFFAOYSA-N
CAS DataBase Reference	637-44-5(CAS DataBase Reference)
NIST Chemistry Reference	Phenylpropiolic acid(637-44-5)
EPA Substance Registry System	2-Propynoic acid, 3-phenyl- (637-44-5)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36-24/25
WGK Germany	3
TSCA	Yes
HazardClass	IRRITANT
HS Code	29163900

MSDS Information

Provider	Language
Phenylpropiolic acid	English
ACROS	English
SigmaAldrich	English
ALFA	English

Phenylpropiolic acid Usage And Synthesis

Chemical Properties	WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
Uses	Phenylpropiolic Acid is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design.
Definition	ChEBI: An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.
Purification Methods	Crystallise the acid from *benzene, CCl4 (m 136o) or aqueous EtOH. The S-benzylisothiuronium salt has m 184-186o (from EtOH). [Beilstein 9 II 436, 9 III 3061, 9 IV 2327.]

Phenylpropiolic acid Preparation Products And Raw materials

Raw materials	CARBON-13C DIOXIDE-->METHYL PHENYLPROPIOLATE-->PHENYLETHYNYLMAGNESIUM BROMIDE-->Phenylpropiolaldehyde-->3-PHENYL-2-PROPYN-1-OL-->Phenylacetylene-->ETHYL PHENYLPROPIOLATE-->Propiolic Acid-->ACROLEIN 2,4-DINITROPHENYLHYDRAZONE-->FORMALDEHYDE 2,4-DINITROPHENYLHYDRAZONE-->2,4-Dinitrophenylhydrazine
Preparation Products	1,4-DIPHENYLBUTADIYNE-->4,6-DIPHENYL-2-PYRONE-->4-Bromo diphenylacetylene-->4-(2-PHENYLETH-1-YNYL)BENZALDEHYDE

SPECS AB-131/42301664 NAPHTHALEN-1-YL-PROPYNOIC ACID Ethyl 2-(Chlorosulfonyl)acetate (4-NITROPHENYL)PROPIOLIC ACID (4-METHOXY-PHENYL)-PROPYNOIC ACID ETHYL ESTER PHENYLPROPIOLIC ACID ETHYL ESTER,3-Phenylpropiolic acid ethyl ester,Phenylpropiolic acid ethyl SPECS AE-562/12222055 SODIUM PHENYLPROPIOLATE 2-NITROPHENYLPROPIOLIC ACID P-TOLYL-PROPYNOIC ACID ETHYL ESTER Phenylpropiolic acid (4-NITRO-PHENYL)-PROPYNOIC ACID ETHYL ESTER 3-(4-BROMOPHENYL)-2-PROPYNOIC ACID (4-CHLORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER Propiolic Acid CHEMBRDG-BB 5217434 (4-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER CHEMBRDG-BB 5931045

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