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6314-45-0

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6314-45-0 Usage

General Description

The chemical compound "(2Z)-4-[(1-methylethyl)amino]-4-oxobut-2-enoic acid" is a derivative of the amino acid glutamic acid. It consists of a butenoic acid backbone with an isopropylamine functional group attached at the fourth position. (2Z)-4-[(1-methylethyl)amino]-4-oxobut-2-enoic acid is a key intermediate in the biosynthesis of the neurotransmitter gamma-aminobutyric acid (GABA) in the human body. GABA is an inhibitory neurotransmitter that plays a crucial role in regulating neuronal excitability, and its synthesis is reliant on the presence of this compound. Additionally, (2Z)-4-[(1-methylethyl)amino]-4-oxobut-2-enoic acid has potential pharmaceutical applications due to its involvement in GABA synthesis and its impact on neurochemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 6314-45-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,1 and 4 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6314-45:
(6*6)+(5*3)+(4*1)+(3*4)+(2*4)+(1*5)=80
80 % 10 = 0
So 6314-45-0 is a valid CAS Registry Number.

6314-45-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name (Z)-4-oxo-4-(propan-2-ylamino)but-2-enoic acid

1.2 Other means of identification

Product number -
Other names N-Isopropyl-maleamidsaeure

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:6314-45-0 SDS

6314-45-0Downstream Products

6314-45-0Relevant articles and documents

1H and13C nuclear magnetic resonance studies of the hindered phencyclone adducts of some smaller branched N-alkyl maleimides: Rigorous aryl proton assignments with high-resolution two-dimensional (COSY45) spectroscopy, and anisotropic shielding effects and ab initio geometry optimizations

Callahan, Ronald,Prip, Ron,Shariff, Navroz,Sklyut, Olga,Rothchild, Robert,Bynum, Kevin

, p. 354 - 365 (2007/10/03)

Phencyclone, 1, a potent Diels-Alder diene, reacts with a series of N-alkylmaleiniides, 2, to form hindered adducts, 3. The 300 MHz 1H and 75 MHz 13C NMR studies of these adducts at ambient temperatures have demonstrated slow rotations on the nuclear magnetic resonance (NMR) timescales for the unsubstituted bridgehead phenyl groups, and have revealed substantial magnetic anisotropic shielding effects in the 1H spectra of the N-alkyl groups of the adducts. The selected N-alkyl groups for the target compounds emphasized smaller branched alkyls, including C3 (isopropyl, a); C4 (isobutyl, b; and t-butyl, c); C5 (n-pentyl, d; isopentyl [isoamyl], e; 1-ethylpropyl, f; t-amyl, g;) and a related C8 isomer (1,1,3,3-tetramethylbutyl ["t-octyl"], h). The straight-chain n-pentyl analog was included as a reference. This present work on the branched N-al-kylmaleimide adducts appreciably extends our earlier compilation on the N-n-alkylmaleimide adducts. Key methods for proton assignments included "high-resolution" 1H-1H chemical shift correlation spectroscopy, COSY45. 13C NMR of the adducts, 3, verified the expected number of aryl carbons for slow exchange limit (SEL) spectra of the bridgehead phenyl groups. The synthetic routes involved reaction of the corresponding amines, 4, with maleic anhydride to give the N-alkylmaleamic acids, 5, which underwent cyclodehydration to form the maleimides, 2. Magnetic anisotropic shielding magnitudes for alkyl group protons in the adducts were calculated relative to corresponding proton chemical shifts in the maleimides. Geometry optimizations for the above adducts (and for the N-n-butylmaleimide adduct) were performed at the Hartree-Fock level with the 6-31G* basis set. The existence of different contributing conformers for the adducts is discussed with respect to their calculated energies and implications regarding experimentally observed anisotropic shielding magnitudes.

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