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3-amino-3-phenylpropanenitrile, also known as 3-phenyl-DL-alanine nitrile or β-phenylalanine nitrile, is an organic compound with the chemical formula C9H10N2. It is a derivative of phenylalanine, an essential amino acid, and features a nitrile group (CN) in place of the carboxylic acid group found in the parent amino acid. 3-amino-3-phenylpropanenitrile is a colorless, crystalline solid that is soluble in water and various organic solvents. 3-amino-3-phenylpropanenitrile is used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals, particularly in the production of β-lactam antibiotics and other biologically active compounds. Its unique structure allows for the exploration of various chemical reactions and modifications, making it a valuable building block in the field of organic chemistry and drug development.

5581-84-0

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5581-84-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5581-84-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,8 and 1 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5581-84:
(6*5)+(5*5)+(4*8)+(3*1)+(2*8)+(1*4)=110
110 % 10 = 0
So 5581-84-0 is a valid CAS Registry Number.

5581-84-0Relevant academic research and scientific papers

Process Optimisation Studies and Aminonitrile Substrate Evaluation of Rhodococcus erythropolis SET1, A Nitrile Hydrolyzing Bacterium

Coady, Tracey M.,Coffey, Lee,Kinsella, Michael,Lennon, Claire M.,Mareya, Tatenda M.,O'Reilly, Catherine

, p. 512 - 520 (2020/10/02)

A comprehensive series of optimization studies including pH, solvent and temperature were completed on the nitrile hydrolyzing Rhodococcus erythropolis bacterium SET1 with the substrate 3-hydroxybutyronitrile. These identified temperature of 25 °C and pH of 7 as the best conditions to retain enantioselectivity and activity. The effect of the addition of organic solvents to the biotransformation mixture was also determined. The results of the study suggested that SET1 is suitable for use in selected organo-aqueous media at specific ratios only. The functional group tolerance of the isolate with unprotected and protected β-aminonitriles, structural analogues of β-hydroxynitriles was also investigated with disappointingly poor isolated yields and selectivity obtained. The isolate was further evaluated with the α- aminonitrile phenylglycinonitrile generating acid in excellent yield and ee (>99 % (S) – isomer and 50 % yield). A series of pH studies with this substrate indicated pH 7 to be the optimum pH to avoid product and substrate degradation.

Silver-promoted regio- and stereoselective aminocyanation of alkynes for the synthesis of β-aminoacrylonitriles using N-isocyanoiminotriphenylphosphorane

Chen, Lingnan,Cao, Shanshan,Zhang, Jingping,Wang, Zikun

supporting information, p. 1678 - 1681 (2019/05/29)

The silver-promoted intermolecular aminocyanation of alkynes for the synthesis of (Z)-β-aminoacrylonitriles is reported, using N-isocyanoiminotriphenylphosphorane (NIITP) as both the nitrile and amine source. The transformation proceeds in moderate to good yields, and in a regio- and stereoselective manner, using a wide range of acetylenes.

Enantioselective biocatalytic hydrolysis of β-aminonitriles to β-amino-amides using Rhodococcus rhodochrous ATCC BAA-870

Chhiba, Varsha,Bode, Moira L.,Mathiba, Kgama,Kwezi, Wendy,Brady, Dean

experimental part, p. 68 - 74 (2012/04/10)

A range of β-aminonitriles (3-amino-3-phenylpropanenitrile and derivatives) were synthesised by reaction of various benzonitriles with acetonitrile and subsequent reduction of the resulting acrylonitrile products. These compounds were hydrolysed to the co

α-Methylation at benzylic fragment of N-aryl-N′-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model

Gomtsyan, Arthur,Bayburt, Erol K.,Keddy, Ryan,Turner, Sean C.,Jinkerson, Tammie K.,Didomenico, Stanley,Perner, Richard J.,Koenig, John R.,Drizin, Irene,McDonald, Heath A.,Surowy, Carol S.,Honore, Prisca,Mikusa, Joe,Marsh, Kennan C.,Wetter, Jill M.,Faltynek, Connie R.,Lee, Chih-Hung

, p. 3894 - 3899 (2008/02/09)

SAR studies for N-aryl-N′-benzyl urea class of TRPV1 antagonists have been extended to cover α-benzyl alkylation. Alkylated compounds showed weaker in vitro potencies in blocking capsaicin activation of TRPV1 receptor, but possessed improved pharmacokinetic properties. Further structural manipulations that included replacement of isoquinoline core with indazole and isolation of single enantiomer led to TRPV1 antagonists like (R)-16a with superior pharmacokinetic properties and greater potency in animal model of inflammatory pain.

Lithium perchlorate mediated three component reaction for the preparation of primary amines

Saidi, Mohammad R.,Javanshir, Shahrzad,Mojtahedi, Mohammad M.

, p. 330 - 331 (2007/10/03)

In the presence of lithium perchlorate in diethyl ether, LPDE, a three- component reaction between aldehydes, sodium hexamethyldisilazane or lithium hexamethyldisilazane, LHMDS, and different nucleophiles proceeds smoothly to afford primary amines in good yields.

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