N-benzylalanine(SALTDATA: HCl)

Base Information

• Chemical Name: N-benzylalanine(SALTDATA: HCl)
• CAS No.: 40297-69-6
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• Mol file: 40297-69-6.mol

Synonyms:N-BENZYLALANINE;2-(BENZYLAMINO)PROPANOIC ACID;

Chemical Property of N-benzylalanine(SALTDATA: HCl)

Chemical Property:

• Melting Point: 250 °C
• Boiling Point: 314.1±25.0 °C(Predicted)
• PKA: 2.31±0.10(Predicted)
• PSA: 49.33000
• Density: 1.126±0.06 g/cm3(Predicted)
• LogP: 1.64020

Purity/Quality:

98% ^*data from raw suppliers

N-benzylalaninehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-benzylalanine(SALTDATA: HCl)

There total 31 articles about N-benzylalanine(SALTDATA: HCl) 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: 99.0%

N-benzylalanine (7585-47-9,40297-69-6,65491-01-2) → N-benzyl-(S)-alanine (7585-47-9,40297-69-6,65491-01-2)

Guidance literature:

With C₂₄H₂₉CoN₂O₄; In dichloromethane; water; at 10 ℃; for 24h; optical yield given as %ee; Resolution of racemate;

DOI:10.1002/ejoc.200701101

Reference yield: 96.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) + benzaldehyde (100-52-7) → N-benzyl-(S)-alanine (7585-47-9,40297-69-6,65491-01-2)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In water; at 0 ℃;

DOI:10.1021/jo3007144

Reference yield: 71.0%

benzaldehyde (100-52-7) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → N-benzylalanine (7585-47-9,40297-69-6,65491-01-2)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; at 20 ℃;

DOI:10.1002/anie.200504116

upstream raw materials:

2-Bromopropionic acid

benzylamine

(S)-2-bromopropanoic acid

1,4-dibenzyl-3,6-dimethyl-2,5-dioxopiperazine

Downstream raw materials:

(-)-N-methyl-N-benzyl-(S)-Ala

N-benzyl-L-alanine methyl ester

(2S,3R,4S,5R)-3-Benzyl-2-methyl-4,5-bis-(4-nitro-phenyl)-oxazolidine

(2S,3R,4S,5S)-3-Benzyl-2-methyl-4,5-bis-(4-nitro-phenyl)-oxazolidine

Refernces

• 1、 Kaminker, Revital,Anastasaki, Athina,Gutekunst, Will R.,Luo, Yingdong,Lee, Sang-Ho,Hawker, Craig J.. "Tuning of protease resistance in oligopeptides through: N -alkylation". supporting information. p. 9631 - 9634. Retrieved 2018/09/10.
• 2、 Etxabe, Julen,Izquierdo, Joseba,Landa, Aitor,Oiarbide, Mikel,Palomo, Claudio. "Catalytic enantioselective synthesis of N,Cα,Cα-trisubstituted α-amino acid derivatives using 1H-imidazol-4(5H)-ones as key templates". supporting information. p. 6883 - 6886. Retrieved 2015/06/08.