3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID

Base Information

• Chemical Name: 3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID
• CAS No.: 100393-41-7
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.252
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80377489
• Nikkaji Number: J1.779.402G
• Mol file: 100393-41-7.mol

Synonyms:1-Naphthalenepropionicacid, b-amino- (6CI)

Chemical Property of 3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Melting Point: 217-219°C
• Boiling Point: 412.3°Cat760mmHg
• PKA: 3.41±0.12(Predicted)
• Flash Point: 203.2°C
• PSA: 63.32000
• Density: 1.252g/cm³
• LogP: 3.01460
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-3-(1-naphthyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)N

Technology Process of 3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC ACID

There total 2 articles about 3-AMINO-3-NAPHTHALEN-1-YL-PROPIONIC 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: 54.0%

malonic acid (141-82-2) + 1-naphthaldehyde (66-77-3) → 3-amino-3-(1-naphthyl)propionic acid (100393-41-7,275826-46-5,775280-91-6)

Guidance literature:

With ammonium acetate; In ethanol; for 5h; Heating;

Reference yield:

→ 3-amino-3-(1-naphthyl)propionic acid (100393-41-7,275826-46-5,775280-91-6)

Guidance literature:

N-Acetamido-diaethylester III, 1) HBr, W., Δ, 2) NH3;

Reference yield:

3-amino-3-(1-naphthyl)propionic acid (100393-41-7,275826-46-5,775280-91-6) → (S)-3-amino-3-(1-naphthyl)propionic acid (275826-46-5,775280-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: 34 percent / lipase Amano PS / aq. phosphate buffer / pH 8.2

With hydrogenchloride; Lipase Amano PS; In phosphate buffer; 1: Fisher esterification / 2: Hydrolysis;

DOI:10.1016/S0040-4039(00)00222-7

upstream raw materials:

malonic acid

1-naphthaldehyde

Downstream raw materials:

(S)-3-amino-3-(1-naphthyl)propionic acid