(2R)-2-Amino-2-ethyloctanoic acid

Base Information

• Chemical Name: (2R)-2-Amino-2-ethyloctanoic acid
• CAS No.: 114781-18-9
• Molecular Formula: C₁₀H₂₁NO₂
• Molecular Weight: 187.282
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00437155
• Nikkaji Number: J655.271D
• Wikidata: Q82252545
• Mol file: 114781-18-9.mol

Synonyms:114781-18-9;(R)-2-Amino-2-ethyloctanoic acid;(2R)-2-AMINO-2-ETHYLOCTANOIC ACID;(R)-2-amino-2-ethyl octanoic acid;Octanoic acid, 2-amino-2-ethyl-, (2R)-;2,6-Diethyl-D-norleucine;DTXSID00437155;MFCD05663543;AKOS017343237;(2~{R})-2-azanyl-2-ethyl-octanoic acid

Chemical Property of (2R)-2-Amino-2-ethyloctanoic acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.84920
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 187.157228913
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

(R)-2-AMINO-2-ETHYLOCTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC)(C(=O)O)N
• Isomeric SMILES: CCCCCC[C@](CC)(C(=O)O)N

Technology Process of (2R)-2-Amino-2-ethyloctanoic acid

There total 6 articles about (2R)-2-Amino-2-ethyloctanoic 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:

1-Iodohexane (638-45-9) → (S)-2-amino-2-ethyloctanoic acid (114781-07-6,114781-18-9,114781-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: BuLi / tetrahydrofuran; hexane / 1.) -70 deg C, 8 h, 2.) room temperature, overnight

2: aq. HCl / 24 h / 100 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;

Reference yield:

1-Iodohexane (638-45-9) → (R)-2-amino-2-ethyloctanoic acid (114781-07-6,114781-18-9,114781-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: BuLi / tetrahydrofuran; hexane / 1.) -70 deg C, 8 h, 2.) room temperature, overnight

2: aq. HCl / 24 h / 100 °C

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;

Reference yield:

(2R,5S)-2,5-Diethyl-2-hexyl-3,6-dimethoxy-2,5-dihydro-pyrazine → (S)-2-amino-2-ethyloctanoic acid (114781-07-6,114781-18-9,114781-19-0) + (R)-2-amino-2-ethyloctanoic acid (114781-07-6,114781-18-9,114781-19-0)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 24h; Yield given. Title compound not separated from byproducts;

upstream raw materials:

ethyl 2-amino-2-ethyloctanoate

1-Iodohexane