1-(3-Chloropropyl)piperidine hydrochloride

Base Information

• Chemical Name: 1-(3-Chloropropyl)piperidine hydrochloride
• CAS No.: 5472-49-1
• Molecular Formula: C8H16ClN^.HCl
• Molecular Weight: 198.136
• Hs Code.: 29333990
• European Community (EC) Number: 226-812-7
• NSC Number: 28334
• DSSTox Substance ID: DTXSID70203187
• ChEMBL ID: CHEMBL4516898
• Mol file: 5472-49-1.mol

Synonyms:1-(3-Chloropropyl)piperidine hydrochloride;5472-49-1;N-(3-Chloropropyl)piperidine hydrochloride;Piperidine, 1-(3-chloropropyl)-, hydrochloride;Piperidinopropyl chloride, hydrochloride;1-(3-chloropropyl)piperidine;hydrochloride;1-(3-chloropropyl)piperidine HCl;1-(3-Chloropropyl)piperidine monohydrochloride;EINECS 226-812-7;NSC 28334;3-Piperidinopropyl chloride hydrochloride;N-(3-Chloropropyl)-piperidine hydrochloride;SCHEMBL41048;CHEMBL4516898;DTXSID70203187;N-chloropropylpiperidine HCl salt;N-(3-chloropropyl)piperidine HCl;piperidinopropylchloridehydrochloride;chloropropyl piperidine hydrochloride;NSC28334;MFCD00012838;N-chloropropylpiperidine hydrochloride;NSC-28334;3-chloropropylpiperidine hydrochloride;piperidinopropyl chloride hydrochloride;AKOS005216575;3 -chlorosulfonyl-4-methylbenzoic acid;3-piperidinopropylchloride hydrochloride;SB41172;N-(3chloropropyl)piperidine hydrochloride;1-(3chloropropyl)piperidine hydrochloride;DS-18247;1-(3-chloropropyl) piperidine hydrochloride;1-(3-chloropropyl)-piperidine hydrochloride;1-(3-chloropropyl)piperidine, hydrochloride;LS-114877;N-(3-chloropropyl) piperidine hydrochloride;A7957;C2922;CS-0132433;FT-0635752;D70144;EN300-1718725;1-(3-chloropropyl)piperidine hydrogen chloride salt;W-109017;1-(3-Chloropropyl)piperidine monohydrochloride, 97%;472-49-1

Chemical Property of 1-(3-Chloropropyl)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 219-223 °C
• Boiling Point: 217.3 °C at 760 mmHg
• Flash Point: 85.2 °C
• PSA: 3.24000
• LogP: 2.84110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.0738049
• Heavy Atom Count: 11
• Complexity: 79.3

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chloropropyl)piperidine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• 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: C1CCN(CC1)CCCCl.Cl
• Uses: 1-(3-Chloropropyl)piperidine Hydrochloride is used in preparation of Triazolotriazine derivatives as A2A receptor antagonists.

Technology Process of 1-(3-Chloropropyl)piperidine hydrochloride

There total 7 articles about 1-(3-Chloropropyl)piperidine 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%

3-(piperidin-1-yl)propan-1-ol hydrochloride → 1-(3-chloropropyl)piperidine hydrochloride (5472-49-1)

Guidance literature:

With thionyl chloride; In toluene; at 0 - 60 ℃; Inert atmosphere;

DOI:10.1021/ol100419y

Reference yield: 99.0%

3-piperidinopropan-1-ol (104-58-5) → 1-(3-chloropropyl)piperidine hydrochloride (5472-49-1)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; Reflux;

DOI:10.1016/j.bmc.2021.116462

Reference yield: 91.0%

piperidine (110-89-4) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)piperidine hydrochloride (5472-49-1)

Guidance literature:

piperidine; 1.3-chlorobromopropane; With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In water; toluene; at 40 ℃; for 3h;

With hydrogenchloride; In methanol;

upstream raw materials:

3-piperidinopropan-1-ol

piperidine

1.3-chlorobromopropane

1-chloro-3-hydroxypropane

Downstream raw materials:

N-(3-piperidino-propyl)-aniline

1-[3-(4-chloro-phenylsulfanyl)-propyl]-piperidine

Methyl-{1-methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-ethyl}-amine

1-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-ethylamine