(S)-(+)-2-Aminoheptane

Base Information

• Chemical Name: (S)-(+)-2-Aminoheptane
• CAS No.: 44745-29-1
• Molecular Formula: C₇H₁₇N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 623-590-7
• UNII: 1N3L0R99QB
• DSSTox Substance ID: DTXSID30370344
• Nikkaji Number: J61.836E
• Wikidata: Q27252637
• Mol file: 44745-29-1.mol

Synonyms:(S)-(+)-2-Aminoheptane;44745-29-1;(2S)-heptan-2-amine;2-Heptanamine, (2S)-;Tuaminoheptane, (+)-;UNII-1N3L0R99QB;1N3L0R99QB;(S)-2-aminoheptane;(S)-Heptan-2-amine;d-2-aminoheptane;(S)-tuaminoheptane;(S)-Heptane-2-amine;(+)-2-HEPTYLAMINE;SCHEMBL354313;TUAMINOHEPTANE, (S)-;2-HEPTANAMINE, (S)-;DTXSID30370344;VSRBKQFNFZQRBM-ZETCQYMHSA-N;(S)-(+)-2-Aminoheptane, 99%;MFCD00066324;?(S)-(+)-2-AMINOHEPTANE;AKOS006240271;AS-81168;E70476;EN300-1856590;Q27252637;(S)-(+)-2-Aminoheptane, ChiPros(R), produced by BASF

Chemical Property of (S)-(+)-2-Aminoheptane

Chemical Property:

• Melting Point: <-70°C
• Refractive Index: 1.4190
• Boiling Point: 145.4 °C at 760 mmHg
• Flash Point: 54.4 °C
• PSA: 26.02000
• Density: 0.766
• LogP: 2.61420
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water (5g/L at 20°C)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

99.0% ^*data from raw suppliers

(S)-(+)-2-Aminoheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-10-50-43-34-25
• Safety Statements: 37/39-26-16-36-61-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-(+)-2-Aminoheptane

There total 67 articles about (S)-(+)-2-Aminoheptane 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: 90.0%

2-Heptanol (52390-72-4,543-49-7) → (R)-2-heptylamine (123-82-0,6240-90-0,7795-34-8,44745-29-1)

Guidance literature:

With formate dehydrogenase from Candida boidinii; alcohol dehydrogenase from Thermoanaerobacter ethanolicus I₈₆A W₁₁₀A variant; chimeric amine dehydrogenase generated through domain shuffling of Bb‐PhAmDH variant and L‐AmDH variant, the latter originated from the leucinedehydrogenase from Bacillus stearothermophilus; NADPH oxidase from Bacillus subtilis; nicotinamide adenine dinucleotide phosphate; nicotinamide adenine dinucleotide; catalase; In aq. buffer; at 30 ℃; for 12h; pH=8.5; stereospecific reaction; Enzymatic reaction;

DOI:10.1039/c7ob01927k

Reference yield: 50.0%

N-octanoylglycine 2,2,2-trifluoroethyl ester (1100753-75-0) + 2-heptylamine (123-82-0) → N-(((S)-heptan-2-ylcarbamoyl)methyl)octanamide (1100754-05-9) + (R)-2-heptylamine (123-82-0,6240-90-0,7795-34-8,44745-29-1)

Guidance literature:

With Alkaline protease; In 3-methylpentan-3-ol; at 20 ℃; for 5.5h; optical yield given as %ee; Enzymatic reaction;

DOI:10.1039/b812089g

Reference yield:

C10H21NOS (1056469-62-5) → methylsulfanyl-acetic acid (2444-37-3) + (R)-2-heptylamine (123-82-0,6240-90-0,7795-34-8,44745-29-1)

Guidance literature:

With novozyme 435; water; at 70 ℃; for 120h; pH=7; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1002/adsc.200800091

upstream raw materials:

2-heptylamine

2-(2'-heptylamino)-2-phenylethanol

methylamine

ethyl 4-chloro-3-hydroxybutanoate

Downstream raw materials:

(S)-(+)-2-benzylaminoheptane

C₃₆H₄₃NO₃

2-heptylamine

(R)-2-heptylamine