1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde
• CAS No.: 125126-74-1
• Molecular Formula: C₁₁H₇F₂NO
• Molecular Weight: 207.179
• DSSTox Substance ID: DTXSID80390350
• Wikidata: Q82186975
• Mol file: 125126-74-1.mol

Synonyms:1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde;125126-74-1;1-(2,4-Difluoro-phenyl)-1H-pyrrole-2-carbaldehyde;1-(2,4-difluorophenyl)pyrrole-2-carbaldehyde;C11H7F2NO;DTXSID80390350;BBL022053;MFCD02664845;STK894771;AKOS000302345;SB62954;NCGC00340565-01;BB 0217781;CS-0116584;F12486;AB01333757-02;EN300-6502421;Z425487116;1-(2,4-Difluorophenyl)-1H-pyrrole-2-carbaldehyde, AldrichCPR

Chemical Property of 1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde

Chemical Property:

• PSA: 22.00000
• LogP: 2.56800
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.04957017
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

1-(2,4-Difluorophenyl)-1H-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=C1)C=O)C2=C(C=C(C=C2)F)F

Technology Process of 1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde

There total 2 articles about 1-(2,4-difluorophenyl)-1H-pyrrole-2-carbaldehyde 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:

1-(2,4-difluorophenyl)-1H-pyrrole (125126-63-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(2,4-Difluoro-phenyl)-1H-pyrrole-2-carbaldehyde (125126-74-1) + 1-(2,4-Difluoro-phenyl)-1H-pyrrole-3-carbaldehyde

Guidance literature:

With oxalyl dichloride; In 1,2-dichloro-ethane; at 35 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1080/00397919108021054

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 1-(2,4-Difluoro-phenyl)-1H-pyrrole-2-carbaldehyde (125126-74-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / glacial acetic acid / 1 h / 115 °C

2: oxalyl chloride / 1,2-dichloro-ethane / 1 h / 35 °C

With oxalyl dichloride; acetic acid; In 1,2-dichloro-ethane;

DOI:10.1080/00397919108021054

upstream raw materials:

1-(2,4-difluorophenyl)-1H-pyrrole

N,N-dimethyl-formamide

2,4-difluorophenylamine