1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene

Base Information

• Chemical Name: 1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene
• CAS No.: 124461-27-4
• Molecular Formula: C11H12BrNO
• Molecular Weight: 254.12308
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50354888
• Wikidata: Q82133365
• Mol file: 124461-27-4.mol

Synonyms:124461-27-4;1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene;(2-bromophenyl)(pyrrolidin-1-yl)methanone;1-(2-Bromobenzoyl)pyrrolidine;(2-bromophenyl)-pyrrolidin-1-ylmethanone;Methanone, (2-bromophenyl)-1-pyrrolidinyl-;Cambridge id 5273653;SCHEMBL4163170;DTXSID50354888;ZEA46127;MFCD00590304;STK402022;AKOS000193962;(2-Bromophenyl)(1-pyrrolidinyl)methanone;AM803074;AS-65447;CS-0212883;METHANONE,(2-BROMOPHENYL)-1-PYRROLIDINYL-;SR-01000202838;SR-01000202838-1;Z27753721

Chemical Property of 1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 367 °C at 760 mmHg
• Flash Point: 175.7 °C
• PSA: 20.31000
• Density: 1.469 g/cm³
• LogP: 2.62300
• Storage Temp.: Keep Cold
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 253.01023
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98.5% ^*data from raw suppliers

1-(2-Bromobenzoyl)pyrrolidine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2Br

Technology Process of 1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene

There total 3 articles about 1-(Pyrrolidin-1-ylcarbonyl)-2-bromobenzene 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: 97.0%

pyrrolidine (123-75-1) + 2-bromobenzoic acid chloride (7154-66-7) → (2-bromophenyl)(pyrrolidin-1-yl)methanone (124461-27-4)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00394-2

Reference yield: 58.0%

pyrrolidine (123-75-1) + ortho-bromobenzaldehyde (6630-33-7) → (2-bromophenyl)(pyrrolidin-1-yl)methanone (124461-27-4)

Guidance literature:

With oxygen; riboflavin-2',3',4',5'-tetra-acetate; In tetrahydrofuran; at 20 ℃; for 4h; under 760.051 Torr; Molecular sieve; Irradiation;

DOI:10.1021/acs.orglett.1c02391

Reference yield:

pyrrolidine (123-75-1) + dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 1-Bromo-2-iodobenzene (583-55-1) → (2-bromophenyl)(pyrrolidin-1-yl)methanone (124461-27-4)

Guidance literature:

With triethylamine; In toluene; at 80 ℃; for 12h; Catalytic behavior;

DOI:10.1016/j.mcat.2019.110672

upstream raw materials:

pyrrolidine

2-bromobenzoic acid chloride

dicobalt octacarbonyl

1-Bromo-2-iodobenzene

Downstream raw materials:

4,4'-Dimethoxybiphenyl

1-bromo-2-(pyrrolidin-1-ylmethyl)benzene

Refernces

• 1、 Gaikwad, Vinayak V.,Mane, Pravin A.,Dey, Sandip,Patel, Divya,Bhanage, Bhalchandra M.. "Supramolecular Pd(II) complex of DPPF and dithiolate: An efficient catalyst for amino and phenoxycarbonylation using Co2(CO)8 as sustainable C1 source". . . Retrieved 2019/11/28.