(R)-2-Aminooctane

Base Information

• Chemical Name: (R)-2-Aminooctane
• CAS No.: 34566-05-7
• Molecular Formula: C₈H₁₉N
• Molecular Weight: 129.246
• Hs Code.: 29211999
• European Community (EC) Number: 622-806-7
• UNII: RJM666K1LK
• Nikkaji Number: J1.114.817D
• Wikidata: Q27288150
• Mol file: 34566-05-7.mol

Synonyms:(R)-2-Aminooctane;34566-05-7;(2R)-octan-2-amine;(R)-2-Octylamine;(R)-Octan-2-amine;(2R)-2-Octanamine;(R)-(-)-2-AMINOOCTANE;L-2-aminooctane;2-Octanamine, (2R)-;(-)-2-Octylamine;(-)-2-Aminooctane;2-Octanamine, (R)-;(r)-1-methylheptylamine;2-Octylamine, (-)-;2-Octylamine, (2R)-;(r)-2-amino-octane;UNII-RJM666K1LK;RJM666K1LK;(2R)-2-octylamine;(2R)-2-aminooctane;SCHEMBL356308;HBXNJMZWGSCKPW-MRVPVSSYSA-N;MFCD01091017;AKOS006341290;AKOS016015904;(R)-2-Aminooctane, >=98.0% (GC);CS-0204339;E84014;EN300-1841500;J-019649;Q27288150;(R)-2-Aminooctane, ChiPros(R), produced by BASF, 98%

Chemical Property of (R)-2-Aminooctane

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: <-20°C
• Refractive Index: 1.4235
• Boiling Point: 163-165 ºC
• PKA: 11.04±0.35(Predicted)
• Flash Point: 50 ºC
• PSA: 26.02000
• Density: 0.77
• LogP: 3.00430
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

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

(R)-2-Aminooctane ChiPros , produced by BASF, 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,N,T
• Statements: 22-34-50-25-10
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)N
• Isomeric SMILES: CCCCCC[C@@H](C)N

Technology Process of (R)-2-Aminooctane

There total 23 articles about (R)-2-Aminooctane 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: 92.0%

(S)-octan-2-amine (34566-04-6) → (R)-2-octylamine (693-16-3,34566-04-6,34566-05-7,44855-57-4)

Guidance literature:

With nickel; at 110 ℃; for 5h; Inert atmosphere;

DOI:10.1002/ejic.201300074

Reference yield: 45.0%

(1R,2S)-norephedrine (492-41-1,58550-13-3,757124-50-8) + Octan-2-one O-benzyl-oxime (123982-63-8) → (R)-2-octylamine (693-16-3,34566-04-6,34566-05-7,44855-57-4)

Guidance literature:

With borane; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4039(00)80059-3

Reference yield:

bishydrochloride salt of cis-1,4-diamino-but-2-ene (87227-77-8,99240-70-7,114118-70-6,119874-79-2) + hexyl-methyl-ketone (111-13-7) → pyrrole (109-97-7,30604-81-0) + (S)-octan-2-amine (34566-04-6) + (R)-2-octylamine (693-16-3,34566-04-6,34566-05-7,44855-57-4)

Guidance literature:

With transaminase TA-P₁-A₀₆; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; for 48h; pH=7.5; Enzymatic reaction;

DOI:10.1002/adsc.201501066

upstream raw materials:

(S)-2-Octanol

(R)-2-nitro-octane

hexyl-methyl-ketone

octan-2-one oxime

Downstream raw materials:

N-(octan-2-yl)benzamide

(R)-(-)-octyl isocyanate

N-((R)-1-methylheptyl)-N',N''-di(n-octyl)benzene-1,3,5-tricarboxamide

Refernces

• 1、 Chen, Fei-Fei,Chen, Qi,Liu, Lei,Wang, Dong-Hao,Wang, Zhi-Long,Xu, Jian-He,Zhang, Zhi-Jun,Zheng, Gao-Wei. "Development of an engineered thermostable amine dehydrogenase for the synthesis of structurally diverse chiral amines". . p. 2353 - 2358. Retrieved 2020/05/13.
• 2、 Ernst, Martin,Ghosh, Tamal,Hashmi, A. Stephen K.,Schaub, Thomas. "Ruthenium Catalyzed Direct Asymmetric Reductive Amination of Simple Aliphatic Ketones Using Ammonium Iodide and Hydrogen". supporting information. . Retrieved 2020/07/14.