(S)-1-(Pyridin-3-yl)ethanamine

Base Information

• Chemical Name: (S)-1-(Pyridin-3-yl)ethanamine
• CAS No.: 27854-93-9
• Molecular Formula: C7H12Cl2N2
• Molecular Weight: 122.17
• Hs Code.: 2933399090
• European Community (EC) Number: 882-353-8
• Nikkaji Number: J64.090E
• Mol file: 27854-93-9.mol

Synonyms:(S)-1-(Pyridin-3-yl)ethanamine;27854-93-9;(S)-1-(3-Pyridyl)ethylamine;(1S)-1-pyridin-3-ylethanamine;(S)-1-PYRIDIN-3-YL-ETHYLAMINE;(1S)-1-(pyridin-3-yl)ethan-1-amine;MFCD09256803;(S)-1-(pyridin-3-yl)ethan-1-amine;SCHEMBL1455475;AKOS016843232;AS-30206;AM20120563;CS-0044516;EN300-72533;3-Pyridinemethanamine, alpha-methyl-, (alphaS)-;A876856

Chemical Property of (S)-1-(Pyridin-3-yl)ethanamine

Chemical Property:

• Boiling Point: 221.0±15.0 °C(Predicted)
• PKA: 8.81±0.29(Predicted)
• PSA: 38.91000
• Density: 1.018±0.06 g/cm3(Predicted)
• LogP: 1.80160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

≥99% ^*data from raw suppliers

(S)-1-(Pyridin-3-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CN=CC=C1)N
• Isomeric SMILES: C[C@@H](C1=CN=CC=C1)N

Technology Process of (S)-1-(Pyridin-3-yl)ethanamine

There total 10 articles about (S)-1-(Pyridin-3-yl)ethanamine 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: 66.0%

(RS,S)-N-[1-(pyridin-3-yl)ethyl]-2-methylpropane-2-sulfinamide → (1S)-1-(pyridin-3-yl)ethan-1-amine (27854-93-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.6b03603

Reference yield: 64.0%

(E)-1-(pyridin-3-yl)ethanone O-benzyl oxime (1010079-98-7) → (1S)-1-(pyridin-3-yl)ethan-1-amine (27854-93-9)

Guidance literature:

With borane-THF; 1-[([1,3,2]dioxaborolan-2-yloxy)-diphenyl-methyl]-2-methylpropylamine; In 1,4-dioxane; at 10 ℃; for 48 - 72h; Product distribution / selectivity;

Reference yield:

1-pyridin-3-yl-ethylamine (56129-55-6) → methyl-3-pyridylketone (350-03-8) + (1S)-1-(pyridin-3-yl)ethan-1-amine (27854-93-9)

Guidance literature:

With D-amino acid oxidase; ATA-117; pyridoxal 5'-phosphate; 2-oxo-propionic acid; at 30 ℃; for 3h; pH=8; optical yield given as %ee; enantioselective reaction; Resolution of racemate; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1039/b902995h

upstream raw materials:

(R_S)-N-[1-(pyridin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide

(E)-1-(pyridin-3-yl)ethanone O-benzyl oxime

methyl-3-pyridylketone

1-pyridin-3-yl-ethylamine

Downstream raw materials:

(S)-1-(pyridin-3-yl)ethan-1-amine hydrochloride