51078-49-0

Basic information

• Product Name: N-(2-Cyanoethyl)-L-valine
• Synonyms: N-(2-Cyanoethyl)-L-valine;(2-cyanoethyl)-L-valine
• CAS NO: 51078-49-0
• Molecular Formula: C8H14N2O2
• Molecular Weight: 170.20896
• Product Categories: Aliphatics;Amino Acids & Derivatives;Mutagenesis Research Chemicals
• Mol File: 51078-49-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 245-247°C (Sublime)
• Boiling Point: 338.8±27.0 °C(Predicted)
• Appearance: /
• Density: 1.076±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: Aqueous Acid (Slightly), DMSO (Slightly)
• PKA: 2.24±0.13(Predicted)
• CAS DataBase Reference: N-(2-Cyanoethyl)-L-valine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-Cyanoethyl)-L-valine(51078-49-0)
• EPA Substance Registry System: N-(2-Cyanoethyl)-L-valine(51078-49-0)

Safety Data

• Hazardous Substances Data: 51078-49-0(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

A metabolite of Acrylonitrile.

Upstream product

• 72-18-4 L-valine 
• 107-13-1 acrylonitrile 

Downstream Products

• 192725-17-0 lopinavir 
• 192725-50-1 (S)-tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid 

Relevant articles and documents

Hemoglobin adducts of acrylamide and acrylonitrile in laboratory workers, smokers and nonsmokers

Acrylamide is a chemical which is extensively used in research laboratories for the preparation of polyacrylamide gels for electrophoresis (PAGE). Blood samples were collected from laboratory personnel who were working with PAGE, from smokers, and from nonsmokers. Hemoglobin adducts of acrylamide, acrylonitrile, and ethylene oxide were determined using the modified Edman degradation procedure. Acrylamide adducts were detected in all persons. The PAGE workers (mean 54 pmol/g) had a significantly increased adduct level compared to nonsmoking controls (mean 31 pmol/g). The acrylamide adducts in smokers (mean 116 pmol/g) correlated with the number of cigarettes smoked per day. This confirms the presence of acrylamide in tobacco smoke and shows that it is an important source of acrylamide exposure. The increased level of acrylamide adducts in the PAGE workers corresponds to an uptake of acrylamide from about 3 cigarettes per day. It is not possible from this study to draw any conclusion as to which step in the working procedure is most critical for exposure. The PAGE workers are probably not at risk for neurotoxic damage to the peripheral nervous system. However, it needs to be investigated whether the exposure to acrylamide in PAGE workers represents a risk for genotoxic and reproductive effects. The high background of acrylamide adducts in nonsmoking controls was unexpected. The origin of this background is not known. Acrylonitrile adducts were below the detection limit (2 pmol/g) in nonsmoking controls. In the smokers (mean 106 pmol/g) this adduct correlated with cigarettes/day and with ethylene oxide adducts. Acrylonitrile adducts could be a better indicator of tobacco smoking than ethylene oxide adducts since the latter are showing a background of endogenous origin.

BICYCLIC COMPOUND ACTING AS ROR INHIBITOR

A bicyclic compound acting as a RORγ inhibitor. Provided are a compound of formula (I) or a pharmaceutically acceptable salt thereof, the compound having a structure as represented by formula (I-A) or formula (I-B). The provided compound of formula (I-A)

PROCESS FOR PREPARING (S)-TETRAHYDRO-A-(1-METHYLETHYL)-2-OXO-1(2H)- PYRIMIDINEACETIC ACID

A process for preparing (S)-tetrahydro-a-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid, an intermediate that is useful in the synthesis of HIV protease inhibitors such as, for example, those described in US-5 914 332, is described.The process under consideration comprises the following steps:- L-valine is reacted with acrylonitrile;- the N-(2-cyanoethyl)-L-valine thus obtained is isolated and then reacted with an alkyl chloroformate;- the N-(2-cyanoethyl)-N-(alkoxycarbonyl)-L-valine thus obtained is hydro-genated in the presence of a hydrogenation catalyst, preferably rhodium;- the N-(3-aminopropyl)-N-(methoxycarbonyl)-L-valine thus obtained is cyclized to give the desired compound.