1-(2-Chloroethyl)pyrrolidin-1-ium;chloride

Base Information

• Chemical Name: 1-(2-Chloroethyl)pyrrolidin-1-ium;chloride
• CAS No.: 7250-67-1
• Molecular Formula: C6H12ClN·HCl
• Molecular Weight: 170.082
• Hs Code.: 2933990090
• Mol file: 7250-67-1.mol

Synonyms:1-(2-chloroethyl)pyrrolidin-1-ium;chloride;AKOS023093295;1-(2chloroethyl) pyrrolidinium chloride

Chemical Property of 1-(2-Chloroethyl)pyrrolidin-1-ium;chloride

Chemical Property:

• Appearance/Colour: white to off-white crystals or crystalline powder
• Vapor Pressure: 1.47mmHg at 25°C
• Melting Point: 167-170 °C(lit.)
• Boiling Point: 170.5 °C at 760 mmHg
• Flash Point: 56.9 °C
• PSA: 3.24000
• Density: 0.4[at 20℃]
• LogP: 2.06090
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Water (Slightly)
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0425048
• Heavy Atom Count: 9
• Complexity: 59.5

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Chloroethyl)pyrrolidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC[NH+](C1)CCCl.[Cl-]
• Uses: 1-(2-Chloroethyl)pyrrolidine is a haloalkyl substituted pyrrolidine used in the preparation of various pharmaceutical compound such as the estrogen receptor antagonist Nafoxidine (N212800) and its ana logues. 1-(2-Chloroethyl)pyrrolidine is a haloalkyl substituted pyrrolidine used in the preparation of various pharmaceutical compound such as the estrogen receptor antagonist Nafoxidine (N212800) and its analogues.

Technology Process of 1-(2-Chloroethyl)pyrrolidin-1-ium;chloride

There total 5 articles about 1-(2-Chloroethyl)pyrrolidin-1-ium;chloride 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: 82.0%

→ 1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1)

Guidance literature:

Reference yield: 62.3%

pyrrolidine (123-75-1) + 2-chloro-ethanol (107-07-3) → 1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1)

Guidance literature:

pyrrolidine; 2-chloro-ethanol; In toluene; for 3h; Reflux;

With thionyl chloride; for 2h; Reflux;

Reference yield: 46.0%

1-pyrrolidineethanol (2955-88-6) → 1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1)

Guidance literature:

With thionyl chloride; for 1h; Heating / reflux;

upstream raw materials:

1-pyrrolidineethanol

pyrrolidine

2-chloro-ethanol

Downstream raw materials:

1-[2-(2,6-diisopropyl-phenoxy)-ethyl]-pyrrolidine

N-benzyl-N-(2-(pyrrolidin-1-yl)ethyl)aniline

S-(2-pyrrolidino-ethyl)-isothiourea; dihydrochloride, S-(2-pyrrolidinio-ethyl)-isothiuronium-dichloride

7-chloro-5-(2-chloro-phenyl)-2-(2-pyrrolidin-1-yl-ethylsulfanyl)-3H-benzo[e][1,4]diazepine

Refernces

• 1、 Xiao, Chunsheng,Cheng, Yilong,Zhang, Yu,Ding, Jianxun,He, Chaoliang,Zhuang, Xiuli,Chen, Xuesi. "Side chain impacts on pH- and thermo-responsiveness of tertiary amine functionalized polypeptides". . p. 671 - 679. Retrieved 2014/02/14.
• 2、 -. "PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES". Page/Page column 108. . Retrieved 2010/11/27.