Methyl 2-amino-2-phenylpropanoate

Base Information

• Chemical Name: Methyl 2-amino-2-phenylpropanoate
• CAS No.: 4507-41-9
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.21600
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID60560155
• Nikkaji Number: J3.456.080C
• Mol file: 4507-41-9.mol

Synonyms:4507-41-9;methyl 2-amino-2-phenylpropanoate;methyl 2-amino-2-phenylpropionate;MFCD00268136;Methyl2-Amino-2-phenylpropionate;methyl aminophenylpropanoate;SCHEMBL3738284;DTXSID60560155;MPSVDCFUZLGFKX-UHFFFAOYSA-N;AC2385;AKOS010013049;(RS)-Methyl 2-amino-2-phenylpropanoate;CS-12076;SY036953;2-amino-2-phenyl-propionic acid methyl ester;EN300-145392;A924641;alpha-Amino-alpha-methyl benzene acetic methyl ester;J-521916;Methyl 2-amino-2-phenylpropionate (H-DL-aMePhg-OMe)

Chemical Property of Methyl 2-amino-2-phenylpropanoate

Chemical Property:

• Boiling Point: 254.8±20.0 °C(Predicted)
• PKA: 6.68±0.10(Predicted)
• PSA: 52.32000
• Density: 1.097±0.06 g/cm3(Predicted)
• LogP: 1.73380
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Amino-2-phenylpropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)(C(=O)OC)N

Technology Process of Methyl 2-amino-2-phenylpropanoate

There total 20 articles about Methyl 2-amino-2-phenylpropanoate 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:

methanol (67-56-1) + 2-amino-2-phenylpropanoic acid (565-07-1,6945-32-0) → 2-amino-2-phenyl propanoate de methyle (4507-41-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9650006227

Reference yield:

2-[2-((S)-1-Hydroxy-ethyl)-4-oxo-4H-quinazolin-3-ylamino]-2-phenyl-propionic acid methyl ester (141236-02-4,141236-03-5) → (+)-methyl 2-amino-2-phenylpropionate (4507-41-9,4896-00-8,5933-41-5)

Guidance literature:

With samarium diiodide; tert-butyl alcohol; In tetrahydrofuran; for 0.5h; Yield given;

DOI:10.1016/S0040-4020(01)90382-5

Reference yield:

8-Methoxy-6,9-dimethyl-9-phenyl-8-trimethylsilanyloxy-9,10-dihydro-6H,8H-7-oxa-5,10,10a-triaza-cyclohepta[b]naphthalen-11-one (145057-52-9) → (+)-methyl 2-amino-2-phenylpropionate (4507-41-9,4896-00-8,5933-41-5)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic aicd / H₂O / 5 h

2: SmI₂, t-butanol / tetrahydrofuran / 0.5 h

With samarium diiodide; acetic acid; tert-butyl alcohol; In tetrahydrofuran; water;

DOI:10.1016/S0040-4020(01)90382-5

upstream raw materials:

methanol

2-amino-2-phenylpropanoic acid

2-[2-((S)-1-Hydroxy-ethyl)-4-oxo-4H-quinazolin-3-ylamino]-2-phenyl-propionic acid methyl ester

methyl 2-azido-2-phenylpropanoate

Downstream raw materials:

Trifluoracetyl-DL-α-phenyl-alanyl-DL-α-phenyl-alanin-methylester

Methyl α-fluoro-α-methylbenzeneacetate

(+/-)-2-Fluoro-2-phenylpropionic acid

2-amino-N-methyl-2-phenyl-propionamide