(S)-2-Aminohexane

Base Information

• Chemical Name: (S)-2-Aminohexane
• CAS No.: 70492-67-0
• Molecular Formula: C6H15 N
• Molecular Weight: 101.192
• Hs Code.: 2921199090
• European Community (EC) Number: 622-789-6
• DSSTox Substance ID: DTXSID50426453
• Nikkaji Number: J1.438.026D
• Wikidata: Q72437568
• Mol file: 70492-67-0.mol

Synonyms:(S)-2-Aminohexane;70492-67-0;(2S)-hexan-2-amine;(S)-(+)-2-AMINOHEXANE;(S)-2-Hexylamine;(2S)-Hexylamine;(S)-2-Hexaneamine;(S)-hexan-2-amine;(+)-(s)-2-aminohexane;SCHEMBL353779;DTXSID50426453;WGBBUURBHXLGFM-LURJTMIESA-N;(S)-2-Aminohexane, >=97.0%;MFCD00671626;AKOS006349673;AKOS015840327;EN300-1836238;A836901;(S)-2-Aminohexane, ChiPros(R), produced by BASF, 99%

Chemical Property of (S)-2-Aminohexane

Chemical Property:

• Vapor Pressure: 18.6mmHg at 25°C
• Melting Point: <-20 ºC
• Boiling Point: 116 ºC at 760 mmHg
• PKA: 11.04±0.35(Predicted)
• Flash Point: 25.7 ºC
• PSA: 26.02000
• Density: 0.768 g/cm³
• LogP: 2.22410
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water (17g/L at 20°C)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-Aminohexane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,F
• Statements: 22-34-11
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C)N
• Isomeric SMILES: CCCC[C@H](C)N
• Uses: (S)-(+)-2-Aminohexane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of (S)-2-Aminohexane

There total 28 articles about (S)-2-Aminohexane 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: 96.1%

n-hexan-2-one (591-78-6) + 4-Phenyl-2-butanone (2550-26-7) → (R)-1-methyl-3-phenylpropylamine (937-52-0,22148-77-2,1199266-89-1) + (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase-A₁₁₃G mutant; ammonium formate; nicotinamide adenine dinucleotide; In aq. buffer; at 30 ℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction;

DOI:10.1021/acs.joc.9b02445

Reference yield: 93.0%

n-hexan-2-one (591-78-6) → (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 22; nicotinamide adenine dinucleotide; In aq. buffer; at 50 ℃; for 48h; pH=8.5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/chem.202003140

Reference yield: 91.0%

(S)-2-hexanol (52019-78-0) → (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With aminedehydrogenase; ammonia; ammonium chloride; at 30 ℃; for 48h; pH=8.7; enantioselective reaction; Enzymatic reaction;

DOI:10.1126/science.aac9283

upstream raw materials:

Hexan-2-on-oxim

N-benzylhexan-2-amine

(S)-(+)-2-aminononane

(R)‐2‐aminohexane

Downstream raw materials:

2-Nonanone

(S)-(+)-2-aminononane

(R)‐2‐aminohexane

L-alanin