3-Bromopyrrolidin-2-one

Base Information

• Chemical Name: 3-Bromopyrrolidin-2-one
• CAS No.: 40557-20-8
• Molecular Formula: C4H6BrNO
• Molecular Weight: 164.002
• Hs Code.: 2933790090
• European Community (EC) Number: 826-779-4
• DSSTox Substance ID: DTXSID10435581
• Nikkaji Number: J2.391.946J
• Mol file: 40557-20-8.mol

Synonyms:3-bromopyrrolidin-2-one;40557-20-8;2-Pyrrolidinone, 3-bromo-;MFCD18886531;3-bromo-pyrrolidin-2-one;3-bromo-2-pyrrolidone;3-Bromopyrrolidine-2-one;SCHEMBL860303;DTXSID10435581;GVPDRYJFYUWXQK-UHFFFAOYSA-N;AKOS013102233;BS-12758;SY067750;CS-0072352;EN300-75540;A873290;F1905-0516

Chemical Property of 3-Bromopyrrolidin-2-one

Chemical Property:

• Boiling Point: 305.787 °C at 760 mmHg
• Flash Point: 138.735 °C
• PSA: 32.59000
• Density: 1.715 g/cm³
• LogP: 0.54570
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.96328
• Heavy Atom Count: 7
• Complexity: 93.7

Purity/Quality:

97% ^*data from raw suppliers

3-bromopyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C1Br

Technology Process of 3-Bromopyrrolidin-2-one

There total 3 articles about 3-Bromopyrrolidin-2-one 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: 59.0%

4-phthalimidobutyric acid (3130-75-4) → 3-bromopyrrolidin-2-one (40557-20-8)

Guidance literature:

4-phthalimidobutyric acid; With water; hydrogen bromide; for 12h; Heating / reflux;

In methanol;

With ammonia; In methanol;

Reference yield: 30.0%

2,4-dibromobutyramide (59882-37-0) → 3-bromopyrrolidin-2-one (40557-20-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/S0957-4166(03)00548-2

Reference yield: 27.0%

→ 3-bromopyrrolidin-2-one (40557-20-8)

Guidance literature:

upstream raw materials:

2,4-dibromobutyramide

4-phthalimidobutyric acid

Downstream raw materials:

3-[4-(3,5-Di-tert.-butyl-4-hydroxyphenyl)thiazol-2-yl methylidene]pyrrolidin-2-one

3-acetoxy-2-pyrrolidinone

Refernces

• 1、 -. "HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR". Page/Page column 118. . Retrieved 2008/06/13.
• 2、 Kamal, Ahmed,Ramana, K. Venkata,Ramana, A. Venkata,Babu, A. Hari. "Chemoenzymatic enantioselective synthesis of 3-hydroxy-2-pyrrolidinones and 3-hydroxy-2-piperidinones". . p. 2587 - 2594. Retrieved 2007/10/03.