(S)-2-Propylpiperidine

Base Information

• Chemical Name: (S)-2-Propylpiperidine
• CAS No.: 458-88-8
• Molecular Formula: C8H17 N
• Molecular Weight: 127.23
• Hs Code.: 2933399090
• European Community (EC) Number: 207-282-6
• UNII: C479P32L2D
• DSSTox Substance ID: DTXSID8041795
• Nikkaji Number: J5.763K
• Wikipedia: Coniine
• Wikidata: Q421994
• NCI Thesaurus Code: C87476
• Metabolomics Workbench ID: 51678
• ChEMBL ID: CHEMBL2287063
• Mol file: 458-88-8.mol

Synonyms:cicutine;conicine;coniine;coniine hydrobromide, (S)-isomer;coniine hydrochloride, (+-)-isomer;coniine hydrochloride, (S)-isomer;coniine, (+-)-isomer;coniine, (S)-isomer;koniin

Chemical Property of (S)-2-Propylpiperidine

Chemical Property:

• Vapor Pressure: 1.8mmHg at 25°C
• Melting Point: ~-2°
• Refractive Index: nD23 1.4505
• Boiling Point: 166.2°Cat760mmHg
• PKA: 3.1(at 25℃)
• Flash Point: 48.4°C
• PSA: 12.03000
• Density: 0.812g/cm³
• LogP: 2.25740
• Water Solubility.: 9.901g/L(25 oC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

98%min ^*data from raw suppliers

(S)-2-PROPYLPIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Plant Toxins
• Canonical SMILES: CCCC1CCCCN1
• Isomeric SMILES: CCC[C@H]1CCCCN1

Technology Process of (S)-2-Propylpiperidine

There total 119 articles about (S)-2-Propylpiperidine 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%

(S)-1-((S)-1-Phenyl-ethyl)-2-propyl-piperidine (113965-36-9) → coniine (458-88-8)

Guidance literature:

With palladium on activated charcoal; In methanol; for 48h;

DOI:10.1055/s-2006-944214

Reference yield: 76.0%

(2S)-4-(1,3-dithiolane-2-yl)-N-(S)-α-methylbenzyl-2-propylpiperidine (148171-65-7) → coniine (458-88-8)

Guidance literature:

With hydrogen; nickel; In ethanol; for 2h; Heating;

DOI:10.1016/S0040-4020(01)80532-9

Reference yield: 76.0%

(3R,5S)-5-n-propyl-3-phenyl-2,3,5,6,7,8-hexahydro-oxazolo[3,2-a]pyridine (88056-98-8) → coniine (458-88-8)

Guidance literature:

With palladium on carbon; hydrogen; under 7600.51 Torr;

DOI:10.1021/ol200557r

upstream raw materials:

(R)-1-benzyloxycarbonyl-2-(2-propenyl)piperidine

(1S,2R)-1-Phenyl-2-((S)-2-propyl-piperidin-1-yl)-propan-1-ol

(S)-tert-butyl 2-propylpiperidine-1-carboxylate

(2R,2'S)-(+)-2-phenyl-2-(2'-propyl-piperidin-1'-yl)-ethanol

Downstream raw materials:

butyric acid

4-amino-n-butyric acid

6-propyl-2,3,4,5-tetrahydropyridine

(S)-(+)-coniine (R)-(-)-mandelic acid salt

Refernces

• 1、 Forero-Doria, Oscar,Santos, Leonardo S.,Nachtigall, Fabiane M.,Shankaraiah, Nagula. "Polymer-supported (-)-8-phenylmenthyl auxiliary as an effective solidphase chiral inductor in the addition of nucleophiles to N-acyliminium Ions". . p. 696 - 702. Retrieved 2018/02/27.
• 2、 Man, Henry,Wells, Elizabeth,Hussain, Shahed,Leipold, Friedemann,Hart, Sam,Turkenburg, Johan P.,Turner, Nicholas J.,Grogan, Gideon. "Structure, activity and stereoselectivity of NADPH-dependent oxidoreductases catalysing the S-selective reduction of the imine substrate 2-methylpyrroline". . p. 1052 - 1059. Retrieved 2015/05/05.