4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
• CAS No.: 51304-61-1
• Molecular Formula: C11H12 Cl N . Cl H
• Molecular Weight: 230.137
• Hs Code.: 2933399090
• European Community (EC) Number: 257-126-6
• DSSTox Substance ID: DTXSID20199304
• ChEMBL ID: CHEMBL2011566
• Mol file: 51304-61-1.mol

Synonyms:51304-61-1;4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride;EINECS 257-126-6;4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HCL;CHEMBL2011566;4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride;4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride;MFCD00012753;SCHEMBL652812;DTXSID20199304;NGDJUNABWNTULX-UHFFFAOYSA-N;BCA30461;Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride;AKOS015892310;AS-37592;CS-0129825;FT-0616606;EN300-102278;Z1362754555;4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine hydrochloride

Chemical Property of 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Vapor Pressure: 0.00143mmHg at 25°C
• Melting Point: 199-204 °C(lit.)
• Boiling Point: 296.5 °C at 760 mmHg
• Flash Point: 133.1 °C
• PSA: 12.03000
• Density: g/cm³
• LogP: 3.84750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 229.0425048
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98%min ^*data from raw suppliers

4-?(4-?Chlorophenyl)?-?1,?2,?3,?6-?tetrahydropyridineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xi
• Statements: 23/24/25-40-36/37/38
• Safety Statements: 26-27-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC=C1C2=CC=C(C=C2)Cl.Cl
• Uses: 4-?(4-?Chlorophenyl)?-?1,?2,?3,?6-?tetrahydropyridine Hydrochloride is used as a reagent in the synthesis of small molecule inhibitors targeting menin-MLL interaction in leukemia. Also used in the preparation of 5-HT2C agonists.

Technology Process of 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride

There total 7 articles about 4-(4-Chlorophenyl)-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: 90.0%

4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (138647-50-4) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride (51304-61-1)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;

DOI:10.1039/c6ob01248e

Reference yield:

bromochlorobenzene (106-39-8) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride (51304-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg / tetrahydrofuran

2: 50percent aq. HCl / Heating

With hydrogenchloride; magnesium; In tetrahydrofuran;

DOI:10.1021/jm00100a006

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride (51304-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg / tetrahydrofuran

2: 1.) H₂, 2.) 50percent HCl / 1.) Pd/C / 1.) H₂O, 2.) H₂O, reflux

With hydrogenchloride; hydrogen; magnesium; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00100a006

upstream raw materials:

N-benzyl-4-(4-chlorophenyl)-4-hydroxypiperidin

4-(4-chloro-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

bromochlorobenzene

1-phenylmethyl-4-piperidone

Downstream raw materials:

1-(4-Chloro-phenyl)-2-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-ethanone

4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine-1-carboxylic acid ethyl ester

4-(4-chlorophenyl)-1,2,3,6-tetrahydropiperidine hydrochloride

[3-(4-chloro-phenyl)-pyrrolidin-3-yl]-methanol

Refernces

• 1、 Bottcher,Barnickel,Hausberg,Haase,Seyfried,Eiermann. "Synthesis and dopaminergic activity of some 3-(1,2,3,6-tetrahydro-1- pyridylalkyl)indoles. A novel conformational model to explain structure- activity relationships". . p. 4020 - 4026. Retrieved 2007/10/02.