29754-04-9

Basic information

• Product Name: Benzenepropanoic acid, b-amino-, ethyl ester, hydrochloride
• Synonyms: ethyl 3-amino-3-phenylpropanoate hydrochloride;[(E)-2,6-dimethylhept-4-en-3-yl] Ethyl Carbonate;rac-(E)-ethyl 2,5-dimethyl-3-hex-4-enylcarbonate;ethyl rac-3-amino-3-phenyl-propionate hydrochloride;ethyl (S,R)-3-amino-3-phenylpropionate hydrochloride;(E)-1-(1-methylethyl)-4-methyl-2-pentenyl ethyl carbonate;ethyl (R,S)-3-amino-3-phenylpropionate hydrochloride;Carbonic acid,ethyl (2E)-4-methyl-1-(1-methylethyl)-2-pentenyl ester;rac-(E)-ethyl 2,6-dimethyl-3-hept-4-enylcarbonate;ethyl rac-(E)-2,5-dimethylhept-4-en-3-yl carbonate;3-amino-3-phenyl-propionic acid ethyl ester hydrochloride
• CAS NO: 29754-04-9
• Molecular Formula: C11H15NO2.ClH
• Molecular Weight: 229.707
• Mol File: 29754-04-9.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, b-amino-, ethyl ester, hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, b-amino-, ethyl ester, hydrochloride(29754-04-9)
• EPA Substance Registry System: Benzenepropanoic acid, b-amino-, ethyl ester, hydrochloride(29754-04-9)

Safety Data

• Hazardous Substances Data: 29754-04-9(Hazardous Substances Data)

Upstream product

• 64-17-5 ethanol 
• 3646-50-2 3-Amino-3-phenylpropionic acid 
• 471259-71-9 (RS)-3-amino-3-phenyl-propionic acid hydrochloride 
• 100-52-7 benzaldehyde 
• 271600-36-3 N-[phenyl(toluene-4-sulfonyl)methyl]tert-butoxycarboxyamide 
• 864871-38-5 diethyl 2-(1-(N-tert-butoxycarbonylamino)-1-phenylmethyl)malonate 

Downstream Products

• 88636-83-3 ethyl 3-phenyl-3-isocyanatopropanoate 
• 1021464-42-5 ethyl 3-phenyl-3-(trimethylsiloxycarbonylamino)propanoate 
• 614-19-7 (S)-3-amino-3-phenylpropanoic acid 
• 3082-68-6 (R)-3-amino-3-phenylpropionic acid ethyl ester 
• 697764-20-8 ethyl 3-(3,4-dimethoxybenzylideneamino)-3-phenylpropanoate 
• 697763-51-2 ethyl 3-benzylideneamino-3-phenylpropanoate 
• 262278-79-5 (+/-)-3-[(8-Chloro-4-oxo-4H-quinolizine-3-carbonyl)-amino]-3-phenyl-propionic acid ethyl ester 
• 100049-94-3 ethyl 3-amino-3-cyclohexylpropanoate hydrochloride 
• 232594-62-6 ethyl rac-3-(2-benzyloxycarbonylamino-acetylamino)-3-phenyl-propionate 

Relevant articles and documents

Structure activity relationships of αv integrin antagonists for pulmonary fibrosis by variation in aryl substituents

Antagonism of αvβ6 is emerging as a potential treatment of idiopathic pulmonary fibrosis based on strong target validation. Starting from an αvβ3 antagonist lead and through simple variation in the nature and position of the aryl substituent, the discovery of compounds with improved αvβ6 activity is described. The compounds also have physicochemical properties commensurate with oral bioavailability and are high quality starting points for a drug discovery program. Compounds 33S and 43E1 are pan αv antagonists having ca. 100 nM potency against αvβ3, αvβ5, αvβ6, and αvβ8 in cell adhesion assays. Detailed structure activity relationships with these integrins are described which also reveal substituents providing partial selectivity (defined as at least a 0.7 log difference in pIC50 values between the integrins in question) for αvβ3 and αvβ5.

Synthesis of schiff bases from 3-amino-3-arylpropionic acid esters in aqueous medium

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Organosilicon synthesis of isocyanates: IV. Synthesis of isocyanates from aliphatic and alkylaromatic amino acid esters

Treatment of an alcoholic suspension of amino acids with trimethylchlorosilane yielded phenylglycine, valine, β-phenylalanine, and homovaline ester hydrochlorides. Their saccharin-catalyzed silylation with hexamethyldisilazane proceeds quantitatively and involves only one proton of the amino group. The best conversion of the amino acid esters to the corresponding isocyanates was achieved by phosgene treatment of their monosilyl urethanes, rather than of the silylated amino esters. Monosilyl urethanes are formed quantitatively by treatment of the amino acid ester hydrochlorides with the hexamethyldisilazane-CO2 system. The 1H NMR spectra show that monosilyl urethanes derived from α-and β-amino acid esters are characterized by intramolecular interaction of the silicon atom and the oxygen atom of the carboxy group. Nauka/Interperiodica 2007.