2-Amino-3-(benzylamino)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(benzylamino)propanoic acid
• CAS No.: 119830-32-9
• Molecular Formula: C10H14N2O2
• Molecular Weight: 194.233
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70555936
• Mol file: 119830-32-9.mol

Synonyms:2-amino-3-(benzylamino)propanoic acid;859059-33-9;3-(Benzylamino)alanine;SCHEMBL7068007;DTXSID70555936;2-amino-3-(benzylamino)propanoicacid;AKOS009156602;EN300-190559

Chemical Property of 2-Amino-3-(benzylamino)propanoic acid

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 2.01E-06mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 379.1 °C at 760 mmHg
• Flash Point: 183.1 °C
• PSA: 75.35000
• Density: 1.193 g/cm³
• LogP: 1.27930
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99.3% ^*data from raw suppliers

(S)-2-Amino-3-(benzylamino)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-(benzylamino)propanoic acid

There total 9 articles about 2-Amino-3-(benzylamino)propanoic acid 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:

C25H24N2O4 → (S)-2-amino-3-(benzylamino)propionic acid (119830-32-9)

Guidance literature:

With 2,2'-iminobis[ethanol]; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.3390/molecules25061313

Reference yield:

C30H31N3NiO4 + benzylamine (100-46-9) → (S)-N-(2-benzoylphenyl)-1-(3,4-dimethylbenzyl)pyrrolidine-2-carboxamide hydrochloride (884659-57-8) + (S)-2-amino-3-(benzylamino)propionic acid (119830-32-9)

Guidance literature:

C₃₀H₃₁N₃NiO₄; With acetic anhydride; sodium carbonate; In acetonitrile; at 25 - 70 ℃;

benzylamine; With sodium hydroxide; In acetonitrile; at 50 ℃; for 2.5h;

With hydrogenchloride; water; In ethanol;

DOI:10.1016/j.tetasy.2010.10.015

Reference yield:

C28H25Cl2N3NiO4 + benzylamine (100-46-9) → (S)-2-amino-3-(benzylamino)propionic acid (119830-32-9) + (S)-N-(2-benzoylphenyl)-1-(3,4-dichlorobenzyl)pyrrolidine-2-carboxamide hydrochloride

Guidance literature:

C₂₈H₂₅Cl₂N₃NiO₄; With acetic anhydride; sodium carbonate; In acetonitrile; at 25 - 70 ℃;

benzylamine; With sodium hydroxide; In acetonitrile; at 50 ℃; for 3h;

With hydrogenchloride; water; In ethanol;

DOI:10.1016/j.tetasy.2010.10.015

upstream raw materials:

benzylamine

Downstream raw materials:

(S)-3-Benzylamino-2-tert-butoxycarbonylamino-propionic acid

Refernces

• 1、 Saghiyan, Ashot S.,Stepanyan, Lala A.,Manasyan, Luiza L.,Geolchanyan, Arpine V.,Djamgaryan, Silva M.,Ajvazyan, Hrant R.,Panosyan, Henry A.,Maleev, Viktor I.,Saveleva, Tatiana F.. "Synthesis of novel chiral NiII complexes of dehydroalanine Schiff bases and their reactivity in asymmetric nucleophilic addition reactions. Novel synthesis of (S)-2-carboxypiperazine". scheme or table. p. 2638 - 2645. Retrieved 2011/02/16.