1-Butyl-1-methylpyrrolidinium bromide

Base Information

• Chemical Name: 1-Butyl-1-methylpyrrolidinium bromide
• CAS No.: 93457-69-3
• Molecular Formula: C9H20N.Br
• Molecular Weight: 222.168
• Hs Code.: 29339900
• European Community (EC) Number: 618-948-4
• UNII: F2F21K33C1
• DSSTox Substance ID: DTXSID4049375
• Wikidata: Q27894191
• ChEMBL ID: CHEMBL3185280
• Mol file: 93457-69-3.mol

Synonyms:1-Butyl-1-methylpyrrolidinium bromide;93457-69-3;N-butyl-N-methylpyrrolidinium bromide;N-methyl-N-butylpyrrolidinium bromide;1-butyl-1-methylpyrrolidin-1-ium;bromide;Pyrrolidinium, 1-butyl-1-methyl-, bromide;DTXSID4049375;F2F21K33C1;N-butyl,methylpyrrolidinium bromide;MFCD07784439;Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1);C9H20BrN;UNII-F2F21K33C1;SCHEMBL1534056;CHEMBL3185280;DTXCID1029334;LCZRPQGSMFXSTC-UHFFFAOYSA-M;N-butyl-N-methylpyrrolidiniumbromide;Tox21_202702;AKOS015833015;CS-W014241;NCGC00260250-01;AS-63088;SY067065;CAS-93457-69-3;B3427;D70797;1-BUTYL-1-METHYLPYRROLIDIN-1-IUM BROMIDE;1-Butyl-1-methylpyrrolidinium bromide, >=99.0%;A859767;1-BUTYL-1-METHYLPYRROLIDINIUM BROMIDE P1,4Br;Q27894191

Chemical Property of 1-Butyl-1-methylpyrrolidinium bromide

Chemical Property:

• Melting Point: 490℃
• PSA: 0.00000
• LogP: -1.01030
• Storage Temp.: Store below +30°C.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 221.07791
• Heavy Atom Count: 11
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-1-methylpyrrolidinium bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1(CCCC1)C.[Br-]

Technology Process of 1-Butyl-1-methylpyrrolidinium bromide

There total 5 articles about 1-Butyl-1-methylpyrrolidinium bromide 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%

1-Methylpyrrolidine (120-94-5) + 1-bromo-butane (109-65-9) → N-methyl-N-butylpyrrolidinium bromide (93457-69-3)

Guidance literature:

for 48h; Inert atmosphere;

DOI:10.1039/c8ob02460j

Reference yield: 96.4%

1-Methylpyrrolidine (120-94-5) + butan-1-ol (71-36-3) → N-methyl-N-butylpyrrolidinium bromide (93457-69-3)

Guidance literature:

With ethylene glycol; potassium bromide; In water; acetonitrile; at 50 ℃; for 2h;

Reference yield: 90.0%

1-Methylpyrrolidine (120-94-5) + 1-bromo-butane (109-65-9) + butanone (78-93-3) → N-methyl-N-butylpyrrolidinium bromide (93457-69-3)

Guidance literature:

upstream raw materials:

1-Methylpyrrolidine

1-bromo-butane

butanone

n-Butyl chloride

Downstream raw materials:

N-butyl-N-methylpyrrolidinium (fluorosulfonyl)(trifluoromethanesulfonyl)imide

1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate

1-butyl-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide

Refernces

• 1、 Hoffknecht, Jan-Philipp,Drews, Mathias,He, Xin,Paillard, Elie. "Investigation of the N-butyl-N-methyl pyrrolidinium trifluoromethanesulfonyl-N-cyanoamide (PYR14TFSAM) ionic liquid as electrolyte for Li-ion battery". . p. 25 - 34. Retrieved 2017.
• 2、 Saraswat, Juhi,Aldahmash, Badr,AlOmar, Suliman Yousef,Imtiyaz, Khalid,Rizvi, M. Moshahid Alam,Patel, Rajan. "Synergistic antimicrobial activity of N-methyl substituted pyrrolidinium–based ionic liquids and melittin against Gram-positive and Gram-negative bacteria". . p. 10465 - 10479. Retrieved 2020.
• 3、 Bahadori, L.,Boyd, R.,Nockemann, P.,Shafeeyan, M. S.,Warrington, A.. "Evaluation of ionic liquids as electrolytes for vanadium redox flow batteries". . . Retrieved 2020/08/24.