(S)-piperidin-3-amine

Base Information

• Chemical Name: (S)-piperidin-3-amine
• CAS No.: 80918-66-7
• Molecular Formula: C₅H₁₂N₂
• Molecular Weight: 100.164
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID40357621
• Nikkaji Number: J3.061.322H
• Wikidata: Q72441034
• Mol file: 80918-66-7.mol

Synonyms:(S)-piperidin-3-amine;80918-66-7;(3S)-piperidin-3-amine;(S)-3-Aminopiperidine;(3S)-3-piperidinamine;3-(s)-amino-piperidine;SCHEMBL907696;DTXSID40357621;PEUGKEHLRUVPAN-YFKPBYRVSA-N;MFCD03093370;AKOS015854521;AS-57627;?-Hydroxybenzylphosphinic Acid Sodium Salt;AM20090507;CS-0310189;C13585;EN300-192973;A840006;J-502519

Chemical Property of (S)-piperidin-3-amine

Chemical Property:

• Vapor Pressure: 2.69mmHg at 25°C
• Boiling Point: 157.9°C at 760 mmHg
• PKA: 10.49±0.20(Predicted)
• Flash Point: 52.7°C
• PSA: 38.05000
• Density: 0.91g/cm³
• LogP: 0.72620
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.100048391
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Piperidinamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)N
• Isomeric SMILES: C1C[C@@H](CNC1)N
• Uses: (S)-3-Piperidinamine is a useful building block used in the preparation of pan-JNK inhibitors for treatment of Huntington’s disease.

Technology Process of (S)-piperidin-3-amine

There total 14 articles about (S)-piperidin-3-amine 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: 63.0%

(3S)-3-aminopiperidin-2-one hydrochloride (42538-31-8,406216-02-2) → (S)-piperidin-3-amine (54012-73-6,80918-66-7,127294-73-9,128441-15-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 15.25h; Inert atmosphere; Reflux;

DOI:10.3987/COM-17-13683

Reference yield: 52.0%

→ (S)-piperidin-3-amine (54012-73-6,80918-66-7,127294-73-9,128441-15-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -80 - 90 ℃; for 10h;

Reference yield:

pyridin-3-ylamine (462-08-8) → 3-aminopiperidine (54012-73-6,80918-66-7,127294-73-9,128441-15-6) + 1,2,3,6-tetrahydropyridine (694-05-3)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; water; for 0.15h; Ambient temperature;

DOI:10.3987/COM-93-6476

upstream raw materials:

pyridin-3-ylamine

pyridine-2,5-diamine

ethanol

3-nitropyridine

Downstream raw materials:

(R)-piperidin-3-ylamine

(S)-piperidin-3-amine

(S)-(-)-3-aminopiperidine dihydrochloride

Linagliptin