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425117

2-丁炔酸乙酯

Name: 2-丁炔酸乙酯
Brand: ALDRICH

98%

别名:

丁炔酸乙酯

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关于此项目

线性分子式:

CH₃C≡CC(O)OCH₂CH₃

化学文摘社编号:

4341-76-8

分子量:

112.13

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24866611

EC Number:

224-395-6

Beilstein/REAXYS Number:

1744948

MDL number:

MFCD00015182

Assay:

98%

Form:

liquid

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属性

Quality Level

200

assay

98%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

160-161 °C/730 mmHg (lit.)

density

0.962 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCOC(=O)C#CC

InChI

1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3

InChI key

FCJJZKCJURDYNF-UHFFFAOYSA-N

说明

General description

Ethyl 2-butynoate, a 2-alkynoate is a methanogenesis inhibitor. It is an electron deficient internal alkyne that has been reported to undergo codimerization with alkenes to form 1,3-dienes catalyzed by rhodium(I)/H₈-BINAP complex. The annulation of thioamides with ethyl 2-butynoate catalyzed by tri-n-butylphosphine to form thiazolines has been investigated.

Application

Ethyl 2-butynoate was used in the study of its effect on in vitro degradation and microbial biomass production.
It may be used in the synthesis of the following:

3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate
tricyclic aziridine derivatives
alkenylsilanols

signalword

Warning

target_organs

Respiratory system

wgk

WGK 3

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

存储类别

3 - Flammable liquids

flash_point_f

134.6 °F

flash_point_c

57 °C

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Dichloro [TADDOLato (2-)-O,O'] titanium/Dichlorobis [1-methylethoxy] titanium-Mediated, Highly Diastereo-and Enantioselective Additions of Silyl Enol Ethers to Nitro Olefins and [3+ 2] Cycloadditions of Primary Adducts to Acetylenes.

Seebach D, et al.

Helvetica Chimica Acta, 82(11), 1829-1842 (1999)

Efficient and stereoselective cross-coupling with highly substituted alkenylsilanols.

Denmark SE and Pan W.

Journal of Organometallic Chemistry, 653(1), 98-104 (2002)

Phosphine-catalyzed annulation of thioamides and 2-alkynoates: a new synthesis of thiazolines.

Bing Liu et al.

The Journal of organic chemistry, 67(13), 4595-4598 (2002-06-22)

The annulation of thioamides with 2-alkynoates and 2,3-dienoates under the catalysis of tri-n-butylphosphine was described. The annulation reaction provided a new entry to thiazolines, particularly those with 2-aryl substituents.

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全球贸易项目编号

货号	GTIN
425117-10G	04061832103914
425117-1G	04061832103921