1-Butylpyrrolidine

Base Information

• Chemical Name: 1-Butylpyrrolidine
• CAS No.: 767-10-2
• Molecular Formula: C8H17 N
• Molecular Weight: 127.23
• Hs Code.: 2933990090
• European Community (EC) Number: 212-179-4
• UNII: IL9P094Z6J
• DSSTox Substance ID: DTXSID20227494
• Nikkaji Number: J2.111C
• Wikidata: Q72514561
• Mol file: 767-10-2.mol

Synonyms:1-Butylpyrrolidine;767-10-2;n-Butylpyrrolidine;Pyrrolidine, 1-butyl-;1-butyl-pyrrolidine;EINECS 212-179-4;BRN 0102915;IL9P094Z6J;MFCD00003184;5-20-01-00170 (Beilstein Handbook Reference);1- Butyl pyrrolidine;N-butyl-pyrrolidine;N-(n-butyl)-pyrrolidine;N-bButyl-tetrahydropyrrole;1-Butylpyrrolidine, 98%;UNII-IL9P094Z6J;2-chloro-8-mercapto adenine;SCHEMBL172368;DTXSID20227494;AKOS015918853;CS-W011143;AC-18281;AS-81229;LS-137284;A9724;FT-0632917;D94689

Chemical Property of 1-Butylpyrrolidine

Chemical Property:

• Vapor Pressure: 3.14mmHg at 25°C
• Refractive Index: n20/D 1.44(lit.)
• Boiling Point: 155-157 ºC (754 mmHg)
• Flash Point: 97 ºF
• PSA: 3.24000
• Density: 0.814
• LogP: 1.82020
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

99.9% ^*data from raw suppliers

1-Butylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-24/25
• Safety Statements: 16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CCCC1
• Uses: 1-Butylpyrrolidine can be used in the composition for alcohol recovery solution. 1-Butylpyrrolidine has been used in:microwave-assisted synthesis of ionic liquid precursor, 1-butyl-1-methylpyrrolidinium methylcarbonate.[N,N-methylbutylpyrrolidinium] thiosalicylate, ionic liquid.The reaction of 1-butylpyrrolidine with dimethyl carbonate to yield the ionic liquid precursor, 1-butyl-1-methylpyrrolidinium methylcarbonate, has been investigated under microwave heating conditions and the reaction parameters optimised to achieve 100% yield of the pyrrolidinium salt with no by-products in under 1h.

Technology Process of 1-Butylpyrrolidine

There total 34 articles about 1-Butylpyrrolidine 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: 96.0%

N-methylcyclohexylamine (626-67-5) + Butane-1,4-diol (110-63-4) → 1-butylpyrrolidine (767-10-2)

Guidance literature:

With N-butylamine;

Reference yield: 92.0%

pyrrolidine (123-75-1) + butyraldehyde (123-72-8) → 1-butylpyrrolidine (767-10-2)

Guidance literature:

With sodium tetrahydroborate; silica-gel-supported sulfuric acid; at 20 ℃; for 0.05h; regioselective reaction; Neat (no solvent);

DOI:10.1080/00397910802691882

Reference yield: 80.0%

pyrrolidine (123-75-1) + butan-1-ol (71-36-3) → 1-butylpyrrolidine (767-10-2)

Guidance literature:

ruthenium trichloride; at 220 ℃; for 5h;

DOI:10.1016/0022-328X(89)85063-6

upstream raw materials:

tetrahydrofuran

N-butylamine

pyrrolidine

1-bromo-butane

Downstream raw materials:

1-butylpyrrolidinium 4,4,4-trifluoro-1-phenyl-1,3-butanedionate

1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate

4-pyrrolidino-butan-2-ol

4-(pyrrolidin-1-yl)butan-1-ol

Refernces

• 1、 Brandt, Andrew,Rangumagar, Ambar B.,Szwedo, Peter,Wayland, Hunter A.,Parnell, Charlette M.,Munshi, Pradip,Ghosh, Anindya. "Highly economical and direct amination of sp3carbon using low-cost nickel pincer catalyst". . p. 1862 - 1874. Retrieved 2021/01/20.
• 2、 -. "Method for catalytically synthesizing 1-substituted pyrrolidine/piperidine derivative by using supported metal". Paragraph 0015; 0025; 0028-0030. . Retrieved 2020/02/20.