(3R)-3-azaniumyl-4,4-dimethyl-pentanoate

Base Information

• Chemical Name: (3R)-3-azaniumyl-4,4-dimethyl-pentanoate
• CAS No.: 367278-49-7
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• Mol file: 367278-49-7.mol

Synonyms:(3R)-3-azaniumyl-4,4-dimethyl-pentanoate;J-502223

Chemical Property of (3R)-3-azaniumyl-4,4-dimethyl-pentanoate

Chemical Property:

• Vapor Pressure: 0.0118mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 99.9 °C
• PSA: 63.32000
• Density: 1.016 g/cm³
• LogP: 1.53480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

(R)-3-T-Butyl-β-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(CC(=O)[O-])[NH3+]
• Isomeric SMILES: CC(C)(C)[C@@H](CC(=O)[O-])[NH3+]

Technology Process of (3R)-3-azaniumyl-4,4-dimethyl-pentanoate

There total 3 articles about (3R)-3-azaniumyl-4,4-dimethyl-pentanoate 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:

C10H21NO2 → (S)‐3‐amino‐4,4‐dimethylpentanoic acid (367278-48-6) + (3R)-3-amino-4,4-dimethylpentanoic acid (367278-49-7)

Guidance literature:

With Candida Antarctica lipase; at 20 ℃; for 5h; optical yield given as %ee; Enzymatic reaction;

DOI:10.1021/op200084g

Reference yield:

pivalaldehyde (630-19-3) → (S)‐3‐amino‐4,4‐dimethylpentanoic acid (367278-48-6) + (3R)-3-amino-4,4-dimethylpentanoic acid (367278-49-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium acetate / ethanol

2: thionyl chloride

3: Candida Antarctica lipase / 5 h / 20 °C / Enzymatic reaction

With thionyl chloride; ammonium acetate; In ethanol;

DOI:10.1021/op200084g

Reference yield:

racemic 3-amino-4,4-dimethyl-pentanoic acid (204191-43-5) → (S)‐3‐amino‐4,4‐dimethylpentanoic acid (367278-48-6) + (3R)-3-amino-4,4-dimethylpentanoic acid (367278-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: Candida Antarctica lipase / 5 h / 20 °C / Enzymatic reaction

With thionyl chloride;

DOI:10.1021/op200084g

upstream raw materials:

pivalaldehyde

racemic 3-amino-4,4-dimethyl-pentanoic acid

Refernces