Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate

Base Information

• Chemical Name: Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate
• CAS No.: 473567-59-8
• Molecular Formula: C10H11F2NO2
• Molecular Weight: 215.2
• DSSTox Substance ID: DTXSID901270097
• Mol file: 473567-59-8.mol

Synonyms:Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate;473567-59-8;(S)-Methyl 2-amino-3-(3,5-difluorophenyl)propanoate;SCHEMBL3967937;NSKNSUFLKKGHKU-VIFPVBQESA-N;DTXSID901270097;BS-28676;3,5-Difluoro-L-phenylalanine methyl ester;N12871;EN300-6285991;(S)-Methyl2-amino-3-(3,5-difluorophenyl)propanoate

Chemical Property of Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.70790
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.07578492
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

Methyl(2S)-2-amino-3-(3,5-difluorophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC(=CC(=C1)F)F)N
• Isomeric SMILES: COC(=O)[C@H](CC1=CC(=CC(=C1)F)F)N

Technology Process of Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate

There total 3 articles about Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate 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: 85.0%

(2S,5R)-2,5-dihydro-3,6-dimethoxy-5-isopropyl-2-(3,5-difluoro)benzylpyrazine (1037222-60-8) → methyl (S)-2-amino-3-(3,5-difluorophenyl)propanoate (473567-59-8)

Guidance literature:

(2S,5R)-2,5-dihydro-3,6-dimethoxy-5-isopropyl-2-(3,5-difluoro)benzylpyrazine; With hydrogenchloride; water; In acetonitrile; at 20 ℃; for 4h;

With water; sodium hydrogencarbonate; In acetonitrile;

Reference yield:

potassium dihydrogen phosphate + methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoate (473567-47-4) + methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(3,5-difluorophenyl)propanoate (473567-61-2) → methyl (S)-2-amino-3-(3,5-difluorophenyl)propanoate (473567-59-8)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield:

→ methyl (S)-2-amino-3-(3,5-difluorophenyl)propanoate (473567-59-8)

Guidance literature:

upstream raw materials:

methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoate

methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(3,5-difluorophenyl)propanoate

(2S,5R)-2,5-dihydro-3,6-dimethoxy-5-isopropyl-2-(3,5-difluoro)benzylpyrazine

Downstream raw materials:

methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoate