2-Bromo-1-(1-pyrrolidinyl)-1-ethanone

Base Information

• Chemical Name: 2-Bromo-1-(1-pyrrolidinyl)-1-ethanone
• CAS No.: 90892-09-4
• Molecular Formula: C6H10 Br N O
• Molecular Weight: 192.055
• Hs Code.: 2933990090
• European Community (EC) Number: 825-096-9
• DSSTox Substance ID: DTXSID10455380
• Nikkaji Number: J2.463.664J
• Wikidata: Q82277343
• Mol file: 90892-09-4.mol

Synonyms:90892-09-4;2-BROMO-1-(1-PYRROLIDINYL)-1-ETHANONE;Bromoacetylpyrrolidine;1-(bromoacetyl)pyrrolidine;2-bromo-1-(pyrrolidin-1-yl)ethanone;2-bromo-1-pyrrolidin-1-ylethanone;2-bromo-1-(pyrrolidin-1-yl)ethan-1-one;Pyrrolidine, 1-(bromoacetyl)-;2-bromo-1-pyrrolidin-1-yl-ethanone;N-(bromoacetyl)-pyrrolidine;pyrrolidinocarbonylmethyl bromide;SCHEMBL1037993;DTXSID10455380;SPHXSIXITGVYAA-UHFFFAOYSA-N;2-Bromo-1-(1-pyrrolidinyl)ethanone;MFCD06800371;AKOS005288907;2-Bromo-1-(pyrrolidin-1-yl) ethan-1-one;B5307;BB 0220648;FT-0677564;EN300-116311;T71443

Chemical Property of 2-Bromo-1-(1-pyrrolidinyl)-1-ethanone

Chemical Property:

• Boiling Point: 120 °C/0.1 mmHg
• PSA: 20.31000
• LogP: 0.94160
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.99458
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-(1-pyrrolidinyl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)CBr

Technology Process of 2-Bromo-1-(1-pyrrolidinyl)-1-ethanone

There total 5 articles about 2-Bromo-1-(1-pyrrolidinyl)-1-ethanone 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: 92.0%

pyrrolidine (123-75-1) + 2-Bromoacetyl bromide (598-21-0) → bromoacetopyrrolidine (90892-09-4)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.05.015

Reference yield: 68.6%

pyrrolidine (123-75-1) + 2-bromoacetyl chloride (22118-09-8) → bromoacetopyrrolidine (90892-09-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 19h;

Reference yield:

pyrrolidine (123-75-1) + 2-bromoacetyl chloride (22118-09-8) → bromoacetopyrrolidine (90892-09-4) + chloroacetic acid pyrrolidide (20266-00-6)

Guidance literature:

In dichloromethane; at -25 - 20 ℃; for 3.5h;

DOI:10.1007/s10600-013-0461-z

upstream raw materials:

pyrrolidine

2-bromoacetyl chloride

2-Bromoacetyl bromide

Downstream raw materials:

2-(phenylthio)-N,N-(tetramethylene)acetamide

[5-Methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-carbamic acid benzyl ester

N-(2-benzoyl-phenyl)-C,C,C-trifluoro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide