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Tert-Butyl 4-(2-propynylamino)benzoate is a versatile chemical compound characterized by the presence of a tert-butyl group, a benzene ring, and an amino group with a propynyl substituent. tert-Butyl 4-(2-propynylamino)benzoate is recognized for its steric hindrance provided by the tert-butyl group, which enhances the stability and solubility in nonpolar solvents. The propynylamino moiety allows for participation in a range of chemical reactions, making it a valuable intermediate in organic synthesis.

112888-76-3

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112888-76-3 Usage

Uses

Used in Organic Synthesis:
Tert-Butyl 4-(2-propynylamino)benzoate is utilized as a building block in organic synthesis for its ability to participate in various chemical reactions, making it a key component in the creation of pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, tert-Butyl 4-(2-propynylamino)benzoate is used as a versatile intermediate for the synthesis of biologically active compounds, capitalizing on its reactivity and structural features to develop new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, tert-Butyl 4-(2-propynylamino)benzoate serves as a crucial intermediate, contributing to the development of new agrochemicals that can enhance crop protection and yield.
Used in Material Science:
Tert-Butyl 4-(2-propynylamino)benzoate may also find applications in material science, where it could be employed as a precursor for the synthesis of new materials with unique properties, owing to its structural attributes and synthetic potential.
Used as a Precursor in Chemical Research:
In the realm of chemical research, tert-Butyl 4-(2-propynylamino)benzoate is used as a precursor to explore novel synthetic pathways and discover new compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 112888-76-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,8,8 and 8 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 112888-76:
(8*1)+(7*1)+(6*2)+(5*8)+(4*8)+(3*8)+(2*7)+(1*6)=143
143 % 10 = 3
So 112888-76-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H17NO2/c1-5-10-15-12-8-6-11(7-9-12)13(16)17-14(2,3)4/h1,6-9,15H,10H2,2-4H3

112888-76-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-(prop-2-ynylamino)benzoate

1.2 Other means of identification

Product number -
Other names FD7135

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:112888-76-3 SDS

112888-76-3Relevant academic research and scientific papers

SYNTHESIS OF CYCLOPENTAQUINAZOLINES

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Page/Page column 61-62, (2012/02/05)

A method of producing 6-amino-cyclopenta[g]quinazolines, in enantiomerically enriched form, is provided. In particular, the method may be applicable to the synthesis of N-{N-{4- [N-((6S)-2-hydroxymethyl-4-oxo-3,4,7,8-tetrahydro-6H-cyclo-penta[g]quinazolin

Quinazoline thymidylate synthase inhibitors

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, (2008/06/13)

The invention relates to quinazoline derivatives or pharceutically-acceptable salts thereof, which possess anti-tumor activity; to processes for their manufacture; and to pharmaceutical compositions containing them. The invention provides a quinazoline of the formula: STR1 wherein R1 is (1-4C)alkyl; the quinazoline ring may optionally bear one or two further substituents selected from halogeno, (1-4C)alkyl and (1-4C)alkoxy; R2 is hydrogen or (1-4C)alkyl; R3 includes hydrogen and (1-4C)alkyl; and Ar is optionally substituted phenylene or heterocyclene; or a pharmaceutically-acceptable salt or ester thereof.

Quinazoline antifolate thymidylate synthase inhibitors: Replacement of glutamic acid in the C2-methyl series

Marsham,Jackman,Barker,Boyle,Pegg,Wardleworth,Kimbell,O'Connor,Calvert,Hughes

, p. 994 - 1004 (2007/10/02)

The synthesis of a series of analogues of the potent thymidylate synthase (TS) inhibitor N-[4[N-[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-N- prop-2-ynylamino]benzoyl]-L-glutamic acid (ICI 198583, 1) is described in which the glutamic acid residu

Syntheses and Thymidylate Synthase Inhibitory Activity of the Poly-γ-glutamyl Conjugates of N--2-thenoyl>-L-glutamic Acid (ICI D1694) and Other Quinazoline Antifolates

Bisset, Graham M. F.,Pawelczak, Krzysztof,Jackman, Ann L.,Calvert, A. Hilary,Hughes, Leslie R.

, p. 859 - 866 (2007/10/02)

Thirteen poly-γ-glutamates derived from several novel antifolates have been synthesized by a convergent route.The syntheses of poly-γ-glutamyl conjugates of N--2-thenoyl>-L-glutamic aci

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