2-Butynoic acid

CAS No.：590-93-2

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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2-Butynoic acid Basic information

Product Name:	2-Butynoic acid
Synonyms:	1-Propynecarboxylic acid;3-Methylpropiolic acid;2-BUTYNOIC ACID;BUT-2-YNOIC ACID;TETROLIC ACID;2-Butynoicacid,98%;2-BUTYNOIC ACID 98%;Methylacetylenecarboxylic acid
CAS:	590-93-2
MF:	C4H4O2
MW:	84.07
EINECS:	209-695-7
Product Categories:	API;Organic Building Blocks;Building Blocks;C1 to C5;Carbonyl Compounds;Carboxylic Acids;Acetylenes;Acetylenic Carboxylic Acids & Their Derivatives;Chemical Synthesis
Mol File:	590-93-2.mol

2-Butynoic acid Chemical Properties

Melting point	78-80 °C (lit.)
Boiling point	200-203°C
density	0,9641 g/cm³
refractive index	1.3918 (estimate)
Fp	200-203°C
storage temp.	Sealed in dry,2-8°C
solubility	water: soluble50mg/mL, clear to very slightly hazy, colorless to very faintly yellow
form	Powder
pka	2.62(at 25℃)
color	White to yellow
Water Solubility	Soluble in water. Slightly soluble in methanol and chloroform.
BRN	1740205
InChIKey	LUEHNHVFDCZTGL-UHFFFAOYSA-N
CAS DataBase Reference	590-93-2(CAS DataBase Reference)
NIST Chemistry Reference	2-Butynoic acid(590-93-2)
EPA Substance Registry System	2-Butynoic acid (590-93-2)

Safety Information

Hazard Codes	C
Risk Statements	34-20/21/22
Safety Statements	26-27-36/37/39-45
RIDADR	UN 3261 8/PG 2
WGK Germany	3
TSCA	Yes
HazardClass	8
PackingGroup	II
HS Code	29161900

MSDS Information

Provider	Language
2-Butynoic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

2-Butynoic acid Usage And Synthesis

Chemical Properties	white to yellow powder
Uses	Synthon employed in a variety of reactions, including cycloacylation of phenols to flavones and chromones,1 and cyclization to γ-butyrolactones.2
Uses	2-Butynoic acid is used as an intermediate in organic synthesis and pharmaceuticals. It is used as a synthon in various reactions, which includes cylcoalkylation of phenols to flavones and chromones. It is involved in the cyclization of gamma-butyrolactones. It is also used in the synthesis of Z-trisubstituted olefins through μ-alkylation. It plays an important role in the preparation of chirally pure 1,2,3,4-tetrahydroisoquinoline analogs, which finds application as anti-cancer agents.
General Description	The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy.

2-Butynoic acid Preparation Products And Raw materials

Preparation Products

Ethyl 2-butynoate-->2,3-DIBROMOBUTYRIC ACID-->METHYL 2-BUTYNOATE

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