1-(3-Chloropropyl)pyrrolidine

Base Information

• Chemical Name: 1-(3-Chloropropyl)pyrrolidine
• CAS No.: 39743-20-9
• Molecular Formula: C7H14ClN
• Molecular Weight: 147.648
• European Community (EC) Number: 810-473-2
• DSSTox Substance ID: DTXSID70462191
• Nikkaji Number: J2.316.621F
• Wikidata: Q72458102
• ChEMBL ID: CHEMBL4597564
• Mol file: 39743-20-9.mol

Synonyms:1-(3-Chloropropyl)pyrrolidine;39743-20-9;1-(3-chloropropyl)-pyrrolidine;Pyrrolidine, 1-(3-chloropropyl)-;(3-chloropropyl)pyrrolidine;SCHEMBL73078;(3-pyrrolidinopropyl)chloride;3-pyrrolidino-propyl chloride;1-chloro-3-pyrrolidinopropane;N-(3-chloropropyl)pyrrolidine;1-(3-chloro-propyl)pyrrolidine;1-(3-chloropropanyl)pyrrolidine;CHEMBL4597564;DTXSID70462191;1-(3-Chloro-propyl)-pyrrolidine;SPRTXTPFQKHSBG-UHFFFAOYSA-N;3-(pyrrolidin-1-yl)propyl chloride;STK504284;AKOS000265259;AC-17193;DS-12350;BB 0254512;CS-0155277;FT-0649341;EN300-55017;A23158;D70826;p-cyanophenyltrans-4-propylcyclohexanecarboxylate

Chemical Property of 1-(3-Chloropropyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.44mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 194.5 °C at 760 mmHg
• PKA: 10.10±0.20(Predicted)
• Flash Point: 71.4 °C
• PSA: 3.24000
• Density: 1.016 g/cm³
• LogP: 1.64900
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.0814771
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-chloropropyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCCCl

Technology Process of 1-(3-Chloropropyl)pyrrolidine

There total 4 articles about 1-(3-Chloropropyl)pyrrolidine 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: 85.0%

3-pyrrolidin-1-yl-propan-1-ol (19748-66-4) → 1-(3-chloropropyl)pyrrolidine (39743-20-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2007.10.045

Reference yield: 60.2%

pyrrolidine (123-75-1) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)pyrrolidine (39743-20-9)

Guidance literature:

In diethyl ether; at 35 - 40 ℃; for 3h;

Reference yield:

1-(3-chloropropyl)pyrrolidine hydrochloride (57616-69-0) → 1-(3-chloropropyl)pyrrolidine (39743-20-9)

Guidance literature:

With sodium hydroxide; In tert-butyl methyl ether; water; pH=> 11; Product distribution / selectivity; Industry scale;

upstream raw materials:

pyrrolidine

1.3-chlorobromopropane

3-pyrrolidin-1-yl-propan-1-ol

1-(3-chloropropyl)pyrrolidine hydrochloride

Downstream raw materials:

10-(3-pyrrolidin-1-yl-propyl)-10H-phenothiazine

2-chloro-10-(3-pyrrolidin-1-yl-propyl)-10H-phenothiazine

2,2-diphenyl-5-pyrrolidino-valeronitrile; hydrochloride

2-methoxy-10-(3-pyrrolidino-propyl)-phenothiazine

Refernces

• 1、 -. "west Neeb salt and its crystalline form, and its preparation method and pharmaceutical composition (by machine translation)". Paragraph 0123. . Retrieved 2017/03/21.
• 2、 Zhu, Shi-Jun,Ying, Hua-Zhou,Wu, Yan,Qiu, Ni,Liu, Tao,Yang, Bo,Dong, Xiao-Wu,Hu, Yong-Zhou. "Design, synthesis and biological evaluation of novel podophyllotoxin derivatives bearing 4β-disulfide/trisulfide bond as cytotoxic agents". . p. 103172 - 103183. Retrieved 2015/12/23.