Coniine hydrochloride

Base Information

• Chemical Name: Coniine hydrochloride
• CAS No.: 555-92-0
• Molecular Formula: C₈H₁₇N*ClH
• Molecular Weight: 163.691
• Hs Code.: 2933399990
• European Community (EC) Number: 209-111-0
• UNII: 3H575MZ6VN
• DSSTox Substance ID: DTXSID701033574
• NCI Thesaurus Code: C87478
• NSC Number: 15128
• Wikidata: Q27257203
• Mol file: 555-92-0.mol

Synonyms:555-92-0;(S)-2-Propylpiperidine hydrochloride;Coniine hydrochloride;Coniine HCl;(2S)-2-propylpiperidine;hydrochloride;(S)-2-Propylpiperidine HCl;3H575MZ6VN;NSC-15128;(+)-Coniine hydrochloride;Coniin hydrochloride;(S)-Coniine hydrochloride;UNII-3H575MZ6VN;(2S)-2-propylpiperidine hydrochloride (1:1);CONIINE, HYDROCHLORIDE;(S)-(+)-Coniine hydrochloride;Coniinhydrochlorid;EINECS 209-111-0;NSC 15128;(+/-)-2-Propylpiperidine hydrochloride;DL-ConiineHydrochloride;Piperidine,2-propyl-,hydrochloride,(2S)-;Piperidine, 2-propyl-, hydrochloride, (S)-;CICUTINE HYDROCHLORIDE;CONICINE HYDROCHLORIDE;SCHEMBL25355;(2S)-2-propylpiperidine HCl;Piperidine, hydrochloride, (S)-;CONIINE HYDROCHLORIDE [MI];DTXSID701033574;(S)-2-Propylpiperidinehydrochloride;NSC15128;MFCD00242640;AKOS030632965;BS-17239;CS-0197282;NS00093516;(2S)-2-PROPYLPIPERIDINE HYDROCHLORIDE;Y10909;A826917;Q27257203

Chemical Property of Coniine hydrochloride

Chemical Property:

• Vapor Pressure: 1.8mmHg at 25°C
• Melting Point: ~210 °C(lit.)
• Boiling Point: 166.2°Cat760mmHg
• Flash Point: 48.4°C
• PSA: 12.03000
• Density: 0.812g/cm³
• LogP: 3.05940
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.1127773
• Heavy Atom Count: 10
• Complexity: 71

Purity/Quality:

95-99% ^*data from raw suppliers

(S)-2-Propylpiperidinehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCCCN1.Cl
• Isomeric SMILES: CCC[C@H]1CCCCN1.Cl

Technology Process of Coniine hydrochloride

There total 115 articles about Coniine hydrochloride 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: 100.0%

(2R,2'S)-(+)-2-phenyl-2-(2'-propyl-piperidin-1'-yl)-ethanol (88056-96-6) → (S)-coniine hydrochloride (555-92-0,15991-59-0,51541-42-5,88057-03-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/j.tetasy.2004.01.017

Reference yield: 100.0%

benzyl (S)-2-propylpiperidine-1-carboxylate (934016-33-8) → (S)-coniine hydrochloride (555-92-0,15991-59-0,51541-42-5,88057-03-8)

Guidance literature:

With hydrogenchloride; In methanol;

Reference yield: 100.0%

(2S)-2-propyl-1-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)piperidine (121675-94-3) → (S)-coniine hydrochloride (555-92-0,15991-59-0,51541-42-5,88057-03-8)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 36h;

DOI:10.1002/ejoc.200400169

upstream raw materials:

benzyl (S)-2-propylpiperidine-1-carboxylate

N-(benzyloxycarbonyl)-(6S)-4-(1,3-dithiolan-4-yl)-6-n-propylpiperidine

(2R)-(-)-1-((1S)-1-phenylethyl)-2-(1-prop-2-enyl)piperidine

(2S)-2-propyl-1-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)piperidine

Refernces

• 1、 Berthold, Dino,Geissler, Arne G. A.,Giofré, Sabrina,Breit, Bernhard. "Rhodium-Catalyzed Asymmetric Intramolecular Hydroamination of Allenes". supporting information. p. 9994 - 9997. Retrieved 2019/07/04.
• 2、 Karanfil, Abdullah,Balta, Berrin,Eskici, Mustafa. "A [3+3] cyclization strategy for asymmetric synthesis of alkyl substituted piperidine-2-ones using 1,2-cyclic sulfamidates: A formal synthesis of (S)-coniine from l-norvaline". . p. 10218 - 10229,12. Retrieved 2020/09/02.