4971-77-1

Basic information

• Product Name: 2-PHENYL-ACETIMIDIC ACID ETHYL ESTER
• Synonyms: SPECS AN-584/42206204;2-PHENYL-ACETIMIDIC ACID ETHYL ESTER;Ethyl 2-phenylacetiMidate
• CAS NO: 4971-77-1
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.22
• Mol File: 4971-77-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 96-98.5 °C(Press: 2 Torr)
• Appearance: /
• Density: 0.97±0.1 g/cm3(Predicted)
• PKA: 8.12±0.70(Predicted)
• CAS DataBase Reference: 2-PHENYL-ACETIMIDIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PHENYL-ACETIMIDIC ACID ETHYL ESTER(4971-77-1)
• EPA Substance Registry System: 2-PHENYL-ACETIMIDIC ACID ETHYL ESTER(4971-77-1)

Safety Data

• Hazardous Substances Data: 4971-77-1(Hazardous Substances Data)

Upstream product

• 140-29-4 phenylacetonitrile 
• 5442-34-2 ethyl 2-phenylacetimidate hydrochloride 
• 64-17-5 ethanol 

Downstream Products

• 138937-34-5 2-benzyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole 
• 16194-98-2 N-acetyl-2-phenyl-acetamidrazone 
• 59-98-3 tolazoline 
• 18678-31-4 4-Hydroxy-2-benzyl-5,6-trimethylen-thieno<2,3-d>pyrimidin 
• 18002-03-4 2-benzyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 
• 18593-54-9 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one 
• 18593-61-8 2-benzyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 
• 18593-69-6 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 
• 92033-26-6 N-<α-Imino-phenaethyl>-L-valin 
• 91181-71-4 N-<α-Imino-phenaethyl>-L-serin 
• 92374-28-2 N-<α-Imino-phenaethyl>-L-leucin 
• 5472-39-9 N-<α-Imino-phenaethyl>-glycin 
• 91180-94-8 N-<α-Imino-phenaethyl>-DL-alanin 
• 18593-47-0 2-benzyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 

Relevant articles and documents

Benzimidates as gem-Diamidation and Amidoindolyzation Cascade Synthons with a Hydrated NiII Catalyst

We contributed a new benzimidate chemistry through moisture-insensitive NiII/NiII-FeIII combo-catalysis for a simultaneous 2-3 bond-forming gem-diamidation and amidoindolyzation cascade reaction to construct symmetrical an

A remarkably efficient Markovnikov hydrochlorination of olefins and transformation of nitriles into imidates by use of AcCl and an alcohol

HCl generated by mixing AcCl with EtOH brings about Markovnikov hydrochlorination of olefins in excellent yields. The products are isolated in states of high purity simply by removal of the volatile components under reduced pressure. Further, nitriles are transformed into imidate hydrochlorides on similar treatment with AcCl and an alcohol. This procedure for nitrile-imidate transformation is much more efficient than that used previously, which involved continuous passing of HCl gas into the solution of a nitrile in a solvent such as Et2O or benzene and an alcohol until one equivalent had been absorbed. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.

Benzylimidazolines as h5-HT(1B/1D) serotonin receptor ligands: A structure-affinity investigation

Benzylimidazolines may represent a class of 5-HT(1D) ligands that has yet to be exploited. On the basis of a previous report that the 2- (substituted-benzyl)imidazoline α-adrenergic agonist oxymetazoline (8) binds with high affinity at calf brain 5-HT(1D) receptors, we explored the structure-affinity relationships of a series of related derivatives. Each of the aromatic substituents was removed and then reinstated in a systematic manner to determine the influence of the individual substituents on binding. It was found that all of the aromatic substituents of 8 act in concert to impart high affinity. However, although the 3-hydroxy group could be removed without significantly reducing affinity for h5-HT(1D) (i.e., human 5- HT(1Dα)) receptors, this modification reduced h5-HT(1B) (i.e., human 5- HT(1Dβ)) receptor affinity by nearly 50-fold. The 2,6-dimethyl groups also contribute to binding but seem to play a greater role for h5-HT(1B) binding than h5-HT(1D) binding. With the appropriate structural modifications, several compounds were identified that display 20- to > 100-fold selectivity for h5-HT(1D) versus h5-HT(1B) receptors. Preliminary functional data suggest that these compounds behave as agonists. Given that 5-HT(1D) agonists are currently being explored for their antimigraine action and that activation of h5-HT(1B) receptors might be associated with cardiovascular side effects, h5- HT(1D)selective agents may offer a new lead for the development of therapeutically efficacious agents.