H-ALA-BETANA

Base Information

• Chemical Name: H-ALA-BETANA
• CAS No.: 720-82-1
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.267
• Hs Code.: 2924297099
• European Community (EC) Number: 211-956-5,636-868-8
• DSSTox Substance ID: DTXSID901313920
• Nikkaji Number: J193.093A
• Wikidata: Q27162483
• Mol file: 720-82-1.mol

Synonyms:(S)-2-Amino-N-(2-naphthyl)propionamide;

Chemical Property of H-ALA-BETANA

Chemical Property:

• Melting Point: 97.5 °C (petroleum ether)
• Boiling Point: 450.1 °C at 760 mmHg
• PKA: 14.13±0.30(Predicted)
• Flash Point: 226 °C
• PSA: 55.12000
• Density: 1.209 g/cm³
• LogP: 2.89880
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Alanine2-Naphthylamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N
• Isomeric SMILES: C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N

Technology Process of H-ALA-BETANA

There total 4 articles about H-ALA-BETANA 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:

benzyloxycarbonylalanine 2-naphthylamide (97948-70-4) → alanine‐2‐naphthylamide (2149-46-4,10521-86-5,20723-89-1,720-82-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

naphthalen-2-ylamine (91-59-8) → alanine‐2‐naphthylamide (2149-46-4,10521-86-5,20723-89-1,720-82-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) ClCO₂iBu, nBu₃N, CHCl₃, (ii) /BRN= 606264/

2: H₂, HCl / Pd-C / ethanol

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

alanine‐2‐naphthylamide (2149-46-4) → alanine‐2‐naphthylamide (2149-46-4,10521-86-5,20723-89-1,720-82-1) + alanine‐2‐naphthylamide (20723-89-1)

Guidance literature:

With triethylamine; In ethanol; hexane; at 22 ℃; Resolution of racemate;

DOI:10.1002/chir.23142

upstream raw materials:

alanine‐2‐naphthylamide

benzyloxycarbonylalanine 2-naphthylamide

naphthalen-2-ylamine

alanine‐2‐naphthylamide

Downstream raw materials:

L-alanin

naphthalen-2-ylamine

Refernces

• 1、 Smith, Grant Gill,Baum, Rocky. "First-Order Rate Constans for the Racemization of Each Component in a Mixture of Isomeric Dipeptides and their Diketopiperazines". . p. 2248 - 2255. Retrieved 2007/10/02.