1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde
• CAS No.: 132407-65-9
• Molecular Formula: C11H8FNO
• Molecular Weight: 189.19
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID10363411
• Nikkaji Number: J1.103.710K
• Wikidata: Q82147094
• Mol file: 132407-65-9.mol

Synonyms:1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde;132407-65-9;1-(2-fluorophenyl)pyrrole-2-carbaldehyde;1-(2-Fluorophenyl)-1H-pyrrole-2-carboxaldehyde;1H-Pyrrole-2-carboxaldehyde, 1-(2-fluorophenyl)-;1-(2-Fluoro-phenyl)-1H-pyrrole-2-carbaldehyde;SCHEMBL5972069;DTXSID10363411;BBL022059;MFCD01443629;STK894777;AKOS000101225;SB62372;NCGC00320004-01;1-(2-Fluorophenyl)pyrrole-2-carboxaldehyde;BB 0217780;CS-0116583;FT-0729244;W16363;AB01316504-02;EN300-6502434;12M-041;J-503015;1-(2-Fluorophenyl)-1H-pyrrole-2-carbaldehyde, AldrichCPR

Chemical Property of 1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.000594mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 310.6°Cat760mmHg
• PKA: -10.08±0.70(Predicted)
• Flash Point: 141.6°C
• PSA: 22.00000
• Density: 1.15g/cm³
• LogP: 2.42890
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.058992041
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98%Min ^*data from raw suppliers

1-(2-Fluorophenyl)-1H-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N2C=CC=C2C=O)F
• Uses: 1-(2-Fluorophenyl)-1h-pyrrole-2-carbaldehyde

Technology Process of 1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde

There total 4 articles about 1-(2-fluorophenyl)-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: 85.0%

1-(2-fluorophenyl)-1H-pyrrole (89096-77-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-(2-fluorophenyl)pyrrole-2-carboxaldehyde (132407-65-9)

Guidance literature:

With trichlorophosphate; at 50 ℃; for 3h;

DOI:10.1016/S0040-4020(99)00224-0

Reference yield:

2-Fluoroaniline (348-54-9) → N-(2-fluorophenyl)pyrrole-2-carboxaldehyde (132407-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid / 1 h / 115 °C

2: oxalyl chloride / 1,2-dichloro-ethane / 0.5 h / Ambient temperature

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

DOI:10.1080/00397919108021054

Reference yield:

2-Fluoroaniline (348-54-9) → N-(2-fluorophenyl)pyrrole-2-carboxaldehyde (132407-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / acetic acid / 1 h / Heating

2: 85 percent / POCl₃ / 3 h / 50 °C

With trichlorophosphate; In acetic acid; 1: Condensation / 2: Vilsmeier-Haak formylation;

DOI:10.1016/S0040-4020(99)00224-0

upstream raw materials:

1-(2-fluorophenyl)-1H-pyrrole

N,N-dimethyl-formamide

2-Fluoroaniline

Downstream raw materials:

N-(2-fluorophenyl)-2-hydroxymethylpyrrole

1-[1-(2-Fluoro-phenyl)-1H-pyrrol-2-yl]-ethanol

(+/-)-N-(2'-fluorophenyl)-2-(α-hydroxy-p-methoxybenzyl)pyrrole

(+/-)-4-(2',4'-dimethoxyphenyl)-4H-pyrrolo<2,1-c><1,4>benzothiazine-1-carboxaldehyde