1-chloroPyrrolidine

Base Information

• Chemical Name: 1-chloroPyrrolidine
• CAS No.: 19733-68-7
• Molecular Formula: C4H8ClN
• Molecular Weight: 105.567
• DSSTox Substance ID: DTXSID10509337
• Nikkaji Number: J240.175D
• Wikidata: Q82366816
• Mol file: 19733-68-7.mol

Synonyms:1-chloroPyrrolidine;19733-68-7;Pyrrolidine, 1-chloro-;n-chloropyrrolidine;1-chloro-pyrrolidine;SCHEMBL2034747;DTXSID10509337;FT-0767496;A18397

Chemical Property of 1-chloroPyrrolidine

Chemical Property:

• PSA: 3.24000
• LogP: 1.17390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 105.0345270
• Heavy Atom Count: 6
• Complexity: 40.8

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)Cl

Technology Process of 1-chloroPyrrolidine

There total 2 articles about 1-chloroPyrrolidine 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: 99.0%

pyrrolidine (123-75-1) → N-chloropyrrolidine (19733-68-7)

Guidance literature:

With N-chloro-succinimide; In tert-butyl methyl ether; for 24h; Inert atmosphere;

Reference yield: 80.0%

N-benzylpyrrolidine (29897-82-3) → N-chloropyrrolidine (19733-68-7)

Guidance literature:

With trichloroisocyanuric acid; In dichloromethane; at 5 ℃;

DOI:10.1021/jo4016437

Reference yield: 90.0%

N-chloropyrrolidine (19733-68-7) → 1-pyrroline (5724-81-2)

Guidance literature:

With potassium tert-butylate; at 80 ℃; for 3h; under 0.001 Torr;

DOI:10.1016/S0040-4020(01)86145-7

upstream raw materials:

pyrrolidine

N-benzylpyrrolidine

Downstream raw materials:

1-pyrroline

2-(phenyl)pyrrolidine

2-chloro-2-phenylpropanal

C₁₃H₁₇NO

Refernces

• 1、 Antelo,Arce,Crugeiras,Parajo. "Kinetic study of the chlorine transfer from n-chlorosuccinimide to amino compounds". . p. 631 - 636. Retrieved 1997.
• 2、 Ruffoni, Alessandro,Juliá, Fabio,Svejstrup, Thomas D.,McMillan, Alastair J.,Douglas, James J.,Leonori, Daniele. "Practical and regioselective amination of arenes using alkyl amines". . p. 426 - 433. Retrieved 2019/05/01.
• 3、 -. "Preparation method of 2-(2,5-difluorophenyl) pyrrolidine". Paragraph 0037; 0039. . Retrieved 2018/07/30.