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METHYL 2-ISOTHIOCYANATOACETATE, a chemical compound with the molecular formula C5H5NO2S, is a derivative of isothiocyanate. It is a colorless liquid with a pungent odor and is highly reactive due to the presence of the isothiocyanate functional group. METHYL 2-ISOTHIOCYANATOACETATE is commonly used in organic synthesis for the preparation of various pharmaceutical and agricultural compounds. It has been identified as a potential antitumor agent and has shown promising results in inhibiting the growth of cancer cells.

21055-37-8

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21055-37-8 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-ISOTHIOCYANATOACETATE is used as an active pharmaceutical ingredient for its potential antitumor properties, contributing to the development of new cancer treatments by inhibiting the growth of cancer cells.
Used in Agricultural Industry:
METHYL 2-ISOTHIOCYANATOACETATE is used as a key component in the preparation of herbicides and insecticides, leveraging its pesticidal properties to control and manage pests and weeds in agricultural settings.
Safety Note:
Due to its reactivity and potential health hazards, METHYL 2-ISOTHIOCYANATOACETATE should be handled with care and proper safety measures in a controlled laboratory environment to ensure the safety of workers and the integrity of the compound.

Check Digit Verification of cas no

The CAS Registry Mumber 21055-37-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,0,5 and 5 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 21055-37:
(7*2)+(6*1)+(5*0)+(4*5)+(3*5)+(2*3)+(1*7)=68
68 % 10 = 8
So 21055-37-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H5NO2S/c1-7-4(6)2-5-3-8/h2H2,1H3

21055-37-8 Well-known Company Product Price

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  • Alfa Aesar

  • (L11046)  Methyl 2-isothiocyanatoacetate, 98%   

  • 21055-37-8

  • 1g

  • 489.0CNY

  • Detail
  • Alfa Aesar

  • (L11046)  Methyl 2-isothiocyanatoacetate, 98%   

  • 21055-37-8

  • 5g

  • 1636.0CNY

  • Detail

21055-37-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL 2-ISOTHIOCYANATOACETATE

1.2 Other means of identification

Product number -
Other names Methyl isothiocyanatoacetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:21055-37-8 SDS

21055-37-8Relevant academic research and scientific papers

IMPROVED INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME

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Paragraph 00106, (2020/10/21)

Disclosed herein are inhibitors of the Notch transcriptional activation complex, and methods for their use in treating or preventing diseases, such as cancer. The inhibitors described herein can include compounds of Formula (I) and pharmaceutically accept

Versatile synthesis of 2′-amino-2′-deoxyuridine derivatives with a 2′-amino group carrying linkers possessing a reactive terminal functionality

Gondela, Andrzej,Tomczyk, Mateusz D.,Przypis, ?ukasz,Walczak, Krzysztof Z.

, p. 5626 - 5632 (2016/08/17)

2,2′-Anhydrouridine has been successfully converted into the appropriate 2′-amino-2′-deoxyuridine derivatives in a reaction with isothiocyanates obtained from amino acids or α,ω-diaminoalkanes. The initially formed oxazolidine-2-thione ring is cleaved under basic conditions into the corresponding 2′-amino(substituted)-2′-deoxyuridine derivatives. The implemented additional terminal functionality in the substituent attached to the 2′-amino group allows further modifications with e.g., fluorophore moiety.

A facile one-pot synthesis of selenoureidopeptides employing lialhseh through staudinger aza-wittig-type reaction

Sharanabai, Kupendra M.,Prabhu, Girish,Panduranga, Veladi,Sureshbabu, Vommina V.

, p. 801 - 806 (2015/03/14)

A one-pot protocol for the synthesis of selenoureidopeptides employing lithium aluminum hydride hydroselenide (LiAlHSeH) as a selenating agent via a Staudinger aza-Wittig-type reaction is reported. The protocol involves the use of Nα-protected aminoalkyl azides and isothicyanato esters to afford the desired products in good yields. This protocol is a direct approach to the synthesis of selenourea compounds that avoids the synthesis of isoselenocyanates and does not require multistep synthesis.

Novel pyrrolidine-thiohydantoins/thioxotetrahydropyrimidinones as highly effective catalysts for the asymmetric Michael addition

Kokotos, Christoforos G.,Limnios, Dimitris,Triggidou, Despoina,Trifonidou, Maria,Kokotos, George

experimental part, p. 3386 - 3395 (2011/06/25)

The synthesis of novel organocatalysts consisting of a pyrrolidine moiety and a thiohydantoin or a thioxotetrahydropyrimidinone ring is described. The compound combining the pyrrolidine with the thioxotetrahydropyrimidinone was found to be a highly effect

GAMMA SECRETASE MODULATORS

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Page/Page column 231; 232, (2009/04/25)

In its many embodiments, the present invention provides a novel class of heterocyclic compounds as modulators of gamma secretase, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing

GAMMA SECRETASE MODULATORS

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Page/Page column 161, (2009/05/29)

In its many embodiments, the present invention provides a novel class of 5-membered, nitrogen-containing heterocyclic compounds as modulators of gamma secretase, methods of preparing such compounds, pharmaceutical compositions containing one or more such

Novel selenium catalyzed synthesis of isothiocyanates from isocyanides and elemental sulfur

Fujiwara, Shin-Ichi,Shin-Ike, Tsutomu,Sonoda, Noboru,Aoki, Minoru,Okada, Kazuhiro,Miyoshi, Noritaka,Kambe, Nobuaki

, p. 3503 - 3506 (2007/10/02)

A variety of aliphatic and aromatic isothiocyanates were synthesized in good to excellent yields from corresponding isocyanides and elemental sulfur under mild conditions by use of catalytic amounts of elemental selenium.

Dithiocarboxylation of α-Nitrogen-Carbanions

Kindt, Petra,Doelling, Wolfgang,Augustin, Manfred

, p. 871 - 878 (2007/10/02)

Dithiocarbamic acid esters 1 with CH-acidic methylene group adjacent to nitrogen react in the system dimethylformamide + 2 equivalents sodium tert. butoxide with carbon disulphide yielding 1,3-thiazoline-2-thiones 3. 2,5-Bis(alkylthio)-1,3-thiazoles 6 are available via dithiocarboxylation of isothiocyanate 5. - Keywords: Dithiocarbamic acid esters; 1,3-Thiazoline-2-thiones; 2-Alkylthio-1,3-thiazoles; 1,3-Thiazole-derivatives.

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