Ethyl 3-amino-2-phenylpropanoate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-2-phenylpropanoate hydrochloride
• CAS No.: 29753-99-9
• Molecular Formula: C11H15 N O2 . Cl H
• Molecular Weight: 229.707
• Hs Code.: 2922499990
• European Community (EC) Number: 867-680-6
• DSSTox Substance ID: DTXSID60579500
• Mol file: 29753-99-9.mol

Synonyms:29753-99-9;Ethyl 3-amino-2-phenylpropanoate hydrochloride;ethyl 3-amino-2-phenylpropanoate;hydrochloride;3-amino-2-phenylpropanoic acid ethyl ester hydrochloride;Benzeneacetic acid, alpha-(aminomethyl)-, ethyl ester, hydrochloride (1:1);ethyl 3-azanyl-2-phenyl-propanoate hydrochloride;Tetra-n-octylphosphoniumBromide;SCHEMBL3449917;DTXSID60579500;NNJRPZZMNBNRFJ-UHFFFAOYSA-N;MFCD00267564;AKOS015847990;SB80490;EN300-89860;G76131;A820042;alpha-phenyl-beta-alanine ethyl ester, hydrochloride;J-520841;Z1262691664;Ethyl 3-amino-2-phenylpropanoate--hydrogen chloride (1/1)

Chemical Property of Ethyl 3-amino-2-phenylpropanoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Boiling Point: 330.6°C at 760 mmHg
• Flash Point: 153.7°C
• PSA: 52.32000
• LogP: 2.79430
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Amino-2-phenylpropanoateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CN)C1=CC=CC=C1.Cl

Technology Process of Ethyl 3-amino-2-phenylpropanoate hydrochloride

There total 3 articles about Ethyl 3-amino-2-phenylpropanoate hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

ethyl phenylcyanoacetate (4553-07-5) → ethyl (RS)-α-(aminomethyl)benzene acetate hydrochloride (29753-99-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 30 ℃; for 18h; under 2327.2 Torr;

DOI:10.1016/0223-5234(93)90078-S

Reference yield:

(ethoxycarbonyl)(cyano)(phenyl)methyl dimethyl phosphate (952514-97-5) → ethyl (RS)-α-(aminomethyl)benzene acetate hydrochloride (29753-99-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 3102.97 Torr;

DOI:10.1021/jo0710073

Reference yield:

ethanol (64-17-5) → ethyl (RS)-α-(aminomethyl)benzene acetate hydrochloride (29753-99-9)

Guidance literature:

DOI:10.1021/jo01102a004

upstream raw materials:

ethyl phenylcyanoacetate

ethanol

(ethoxycarbonyl)(cyano)(phenyl)methyl dimethyl phosphate

Downstream raw materials:

(R)-benzeneacetic acid α-<<<3-(1H-indol-3-yl)-2-methyl-1-oxo-2-<<(tricyclo<3.3.1.1^3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>methyl>ethyl ester

diphenyl-3,7 oxo-4 hexahydro-2,3,4,6,7,8 pyrrolo<1,2-a>pyrimidine

ethyl β-(acetylamino)-α-phenylpropionate

(R)-α-<<<3-(1H-indol-3-yl)-2-methyl-1-oxo-2-<<(tricyclo<3.3.1.1^3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>methyl>benzeneacetic acid