(S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid
• CAS No.: 500770-69-4
• Molecular Formula: C18H21NO4
• Molecular Weight: 315.36
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00426605
• Wikidata: Q82239470
• Mol file: 500770-69-4.mol

Synonyms:500770-69-4;(S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid;Boc-(S)-3-Amino-3-(2-naphthyl)-propionic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid;(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(NAPHTHALEN-2-YL)PROPANOICACID;(S)-Boc-3-(2-naphthyl)-beta-Ala-OH;DTXSID00426605;MFCD03427915;PS-12509;(S)-Boc-3-(2-naphthyl)- beta -Ala-OH;CS-0154503;boc-(s)-3-amino-3-(2-naphthyl)propanoic acid;N12177;EN300-1071640;(S)-3-(Boc-amino)-3-(naphthalen-2-yl)propanoic acid;(S)-Boc-3-(2-naphthyl)-beta-Ala-OH, >=98.0% (HPLC);(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(naphthalen-2-yl)propanoic acid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 3.51E-11mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 508.9°C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 261.6°C
• PSA: 79.12000
• Density: 1.198g/cm³
• LogP: 4.08470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 315.14705815
• Heavy Atom Count: 23
• Complexity: 429

Purity/Quality:

98%min ^*data from raw suppliers

(S)-Boc-3-(2-naphthyl)-β-Ala-OH ≥98.0% (HPLC) ^*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)(C)OC(=O)NC(CC(=O)O)C1=CC2=CC=CC=C2C=C1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC2=CC=CC=C2C=C1

Technology Process of (S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid

There total 3 articles about (S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)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:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + 3-amino-3-(2-naphthyl)propionic acid (129042-57-5,767282-94-0,786637-72-7) → C18H21NO4 (268542-15-0,500770-69-4,500789-01-5)

Guidance literature:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile; 3-amino-3-(2-naphthyl)propionic acid; With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 3h;

With citric acid; In 1,4-dioxane; water; pH=~ 2;

Reference yield:

→ Boc-3-(2-naphthyl)-L-alanine (500770-69-4,500789-01-5)

Guidance literature:

3-(2-naphthyl)-L-alanine, NaOH, Boc-azide, dioxane;

Reference yield:

→ C18H21NO4 (268542-15-0,500770-69-4,500789-01-5)

Guidance literature:

upstream raw materials:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

3-amino-3-(2-naphthyl)propionic acid