ChemicalBook--->CAS DataBase List--->29182-42-1

29182-42-1

29182-42-1 Structure

29182-42-1 Structure
IdentificationBack Directory
[Name]

2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER
[CAS]

29182-42-1
[Synonyms]

NSC 621357
Ethyl benz
AKOS BBS-00007333
ETHYL BENZOTHIAZOLYLACETATE
ETHYL 2-BENZOTHIAZOLEACETATE
ETHYL 2-(2-BENZOTHIAZOLYL)ACETATE
ETHYL 1,3-BENZOTHIAZOL-2-YLACETATE
Ethyl 2-(benzothiazol-2-yl) acetate
ethyl 2-(benzo[d]thiazol-2-yl)acetate
ethyl 2-(1,3-benzothiazol-2-yl)acetate
2-BENZOTHIAZOLEACETIC ACID ETHYL ESTER
Benzothiazol-2-yl-acetic acid ethyl ester
2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER
2-Benzothiazoleaceticacid,ethylester(8CI,9CI)
2-(2-Benzothiazolyl)acetic Acid Ethyl Ester Ethyl 2-Benzothiazoleacetate 2-Benzothiazoleacetic Acid Ethyl Ester
[Molecular Formula]

C11H11NO2S
[MDL Number]

MFCD00546397
[MOL File]

29182-42-1.mol
[Molecular Weight]

221.28
Chemical PropertiesBack Directory
[Appearance]

Yellow oil or crystalline
[Boiling point ]

145 °C / 1.5mmHg
[density ]

1.260±0.06 g/cm3(Predicted)
[refractive index ]

1.58
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

0.72±0.10(Predicted)
[InChI]

InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
[InChIKey]

VYMJUZXFYAREJY-UHFFFAOYSA-N
[SMILES]

S1C2=CC=CC=C2N=C1CC(OCC)=O
Hazard InformationBack Directory
[Chemical Properties]

Yellow oil or crystalline
[Uses]

Ethyl 2-(benzo[d]thiazol-2-yl)acetate is a useful research chemical.
[Synthesis]

Ethyl cyanoacetate

105-56-6

2-Aminobenzenethiol

137-07-5

2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER

29182-42-1

To a mixture of 2-aminothiophenol (5 g, 39.9 mmol) was added ethyl cyanoacetate (4.25 ml, 39.9 mmol). The reaction mixture was heated to 120°C under stirring and maintained at this temperature for 3 hours. Upon completion of the reaction, the volatile components were removed by concentration under reduced pressure to give 8 g of ethyl 2-(benzo[d]thiazol-2-yl)acetate, the product being a brown oil in 90% yield.

[References]

[1] Patent: CN104177379, 2016, B. Location in patent: Paragraph 0050; 0052; 0053
[2] Bulletin of the Korean Chemical Society, 2011, vol. 32, # 5, p. 1461 - 1462
[3] Patent: US2007/32652, 2007, A1. Location in patent: Page/Page column 20-21
[4] Patent: US2011/112086, 2011, A1. Location in patent: Page/Page column 16
[5] Journal of the American Chemical Society, 2010, vol. 132, # 4, p. 1276 - 1288
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
Spectrum DetailBack Directory
[Spectrum Detail]

2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER(29182-42-1)1HNMR
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