4-(4-Chlorobutyl)pyridine hydrochloride

Base Information

• Chemical Name: 4-(4-Chlorobutyl)pyridine hydrochloride
• CAS No.: 149463-65-0
• Molecular Formula: C₉H₁₂ClN*ClH
• Molecular Weight: 206.115
• Hs Code.: 2933399090
• European Community (EC) Number: 824-265-4
• DSSTox Substance ID: DTXSID60599703
• Mol file: 149463-65-0.mol

Synonyms:149463-65-0;4-(4-Chlorobutyl)pyridine hydrochloride;4-(4-PYRIDINYL)BUTYL CHLORIDE HYDROCHLORIDE;C9H13Cl2N;4-(4-CHLOROBUTYL)PYRIDINE HCL;4-(4-chlorobutyl)pyridine;hydrochloride;MFCD09952022;Pyridine, 4-(4-chlorobutyl)-, hydrochloride (1:1);Pyridine, 4-(4-chlorobutyl)-, hydrochloride;4-(4-Chlorobutyl)pyridinehydrochloride;4-(4-chlorobutyl)pyridine,hydrochloride;4-(4-pyridinyl)butyl chloride hydrochloride salt;SCHEMBL2892360;DTXSID60599703;CIPSBYICMDRGKQ-UHFFFAOYSA-N;BCP12323;4-(4-Pyridinyl)butyl Chloride HCl;AKOS015891846;4-(4-Pyridinyl)butyl chloride HCl salt;AC-27062;AS-36956;SY226263;DB-063808;CS-0158366;A884273;4-(4-Chlorobutyl)pyridine--hydrogen chloride (1/1)

Chemical Property of 4-(4-Chlorobutyl)pyridine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000427mmHg at 25°C
• Boiling Point: 311.1 °C at 760 mmHg
• Flash Point: 141.9 °C
• PSA: 12.89000
• LogP: 3.44510
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 205.0425048
• Heavy Atom Count: 12
• Complexity: 89.6

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Chlorobutyl)pyridinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CCCCCl.Cl
• Uses: 4-(4-Chlorobutyl)pyridine Hydrochloride is a useful intermediate in the synthesis of tirofiban hydrochloride.

Technology Process of 4-(4-Chlorobutyl)pyridine hydrochloride

There total 2 articles about 4-(4-Chlorobutyl)pyridine 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:

picoline (108-89-4) + 1.3-chlorobromopropane (109-70-6) → 4-(4-pyridinyl)butyl chloride hydrochloride (149463-65-0)

Guidance literature:

With hydrogenchloride; n-butyllithium; Yield given. Multistep reaction; 1a) THF, hexane, ca. -50 deg C to r.t., 1b) 40-50 deg C, 2 h, 2) THF, ca. -65 deg C to 0 deg C, overnight, 3) i-propyl acetate, -10 deg C, 1 h;

DOI:10.1016/S0040-4020(01)87943-6

Reference yield:

→ 4-(4-pyridinyl)butyl chloride hydrochloride (149463-65-0)

Guidance literature:

upstream raw materials:

picoline

1.3-chlorobromopropane

Refernces

• 1、 -. "Process for preparing fibrinogen receptor antagonists". . . Retrieved 2008/06/13.