1,2,3,6-Tetrahydropyridine hydrochloride

Base Information

• Chemical Name: 1,2,3,6-Tetrahydropyridine hydrochloride
• CAS No.: 18513-79-6
• Molecular Formula: C5H9 N . Cl H
• Molecular Weight: 119.594
• Hs Code.: 2933399090
• European Community (EC) Number: 623-201-0
• DSSTox Substance ID: DTXSID30583715
• NSC Number: 116389
• Mol file: 18513-79-6.mol

Synonyms:1,2,3,6-Tetrahydropyridine hydrochloride;18513-79-6;1,2,3,6-Tetrahydropyridine HCl;1,2,3,6-tetrahydropyridine;hydrochloride;PYRIDINE, 1,2,3,6-TETRAHYDRO-, HYDROCHLORIDE;MFCD00216642;1,2,3,6-TETRAHYDROPYRIDINE, HCL;SCHEMBL3253492;DTXSID30583715;NSC116389;AKOS015892292;CS-W021272;NSC-116389;PB15670;SB10491;DS-17478;SY020557;EN300-128207;1,2,3,6-Tetrahydropyridine Hydrochloride ~90%;1,2,3,6-Tetrahydropyridine hydrochloride, 98%;W-206331;1,2,3,6-Tetrahydropyridine--hydrogen chloride (1/1);Z1623864216

Chemical Property of 1,2,3,6-Tetrahydropyridine hydrochloride

Chemical Property:

• Vapor Pressure: 2.02mmHg at 25°C
• Melting Point: 189-191 °C(lit.)
• Boiling Point: 161.1oC at 760 mmHg
• Flash Point: 51.2oC
• PSA: 12.03000
• LogP: 1.66670
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.0501770
• Heavy Atom Count: 7
• Complexity: 57

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,6-Tetrahydropyridine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNCC=C1.Cl
• Uses: 1,2,3,6-Tetrahydropyridine Hydrochloride is used in the synthetic preparation of efficient water soluble olefin metathesis catalyst.

Technology Process of 1,2,3,6-Tetrahydropyridine hydrochloride

There total 5 articles about 1,2,3,6-Tetrahydropyridine 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: 88.0%

N-allyl-N-(3-butenyl)amine hydrochloride → 1,2,3,6-tetrahydropyridine hydrochloride (18513-79-6)

Guidance literature:

With C₃₁H₄₀Cl₂N₄ORu*2C₂HF₃O₂; In water-d2; at 80 ℃; for 1h; Temperature; Green chemistry;

DOI:10.1039/c5gc00252d

Reference yield:

N-Boc-1,2,3,6-tetrahydropyridine (85838-94-4) → 1,2,3,6-tetrahydropyridine hydrochloride (18513-79-6)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 16h;

Reference yield:

C13H16N2O4S → 1,2,3,6-tetrahydropyridine hydrochloride (18513-79-6)

Guidance literature:

Multi-step reaction with 4 steps

1: para-thiocresol; potassium hydroxide / water; acetonitrile / 1.33 h / 50 °C / Cooling with ice; Inert atmosphere; Glovebox

2: 1 h / 20 °C / Cooling with ice; Inert atmosphere; Glovebox

3: hydrogenchloride / 1,4-dioxane / 18 h / 20 °C / Inert atmosphere; Glovebox

4: C₃₆H₅₁Cl₂N₄ORu⁽²⁺⁾*2Cl^(1-); potassium chloride / water-d2 / 24 h / 25 °C / Inert atmosphere; Glovebox; Green chemistry

With hydrogenchloride; C₃₆H₅₁Cl₂N₄ORu⁽²⁺⁾*2Cl^(1-); potassium chloride; para-thiocresol; potassium hydroxide; In 1,4-dioxane; water; water-d2; acetonitrile;

DOI:10.1021/om4005302

upstream raw materials:

N-Boc-(3-butenyl)(allyl)amine

N-2-propen-1-yl-3-buten-1-amine

N-Boc-1,2,3,6-tetrahydropyridine

Downstream raw materials:

(3,6-dihydro-2H-[1]pyridyl)-phenyl-acetonitrile

(5,6-dihydropyridin-1(2H)-yl)(2-iodophenyl)methanone