2-Fluoro-5-iodobenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-5-iodobenzaldehyde
• CAS No.: 146137-76-0
• Molecular Formula: C7H4 F I O
• Molecular Weight: 250.011
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00584234
• Wikidata: Q72480247
• Mol file: 146137-76-0.mol

Synonyms:2-Fluoro-5-iodobenzaldehyde;146137-76-0;2-fluoro-5-iodo-benzaldehyde;Benzaldehyde, 2-fluoro-5-iodo-;MFCD03093999;6-fluoro-3-iodobenzaldehyde;SCHEMBL274402;DTXSID00584234;BIRCCQCPGMMGPJ-UHFFFAOYSA-N;BCP28168;2-Fluoro-5-iodobenzaldehyde, 97%;CL8282;AKOS015888145;AM84201;CS-W012649;PS-7487;BP-12685;SY041677;EN300-115599;A808457;J-008196

Chemical Property of 2-Fluoro-5-iodobenzaldehyde

Chemical Property:

• Melting Point: 45-48 ºC
• Boiling Point: 261.9°Cat760mmHg
• Flash Point: 112.2°C
• PSA: 17.07000
• Density: 1.962g/cm³
• LogP: 2.24280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air & Light Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.92909
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Fluoro-5-iodobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)C=O)F

Technology Process of 2-Fluoro-5-iodobenzaldehyde

There total 2 articles about 2-Fluoro-5-iodobenzaldehyde 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:

4-fluoro-1-iodobenzene (352-34-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-Fluoro-5-iodo-benzaldehyde (146137-76-0)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) hexane, THF, -78 deg C, 2.) -78 deg C;

DOI:10.1016/S0040-4039(00)60806-7

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 4-fluoro-1-iodobenzene (352-34-1) + diisopropylamine (108-18-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-Fluoro-5-iodo-benzaldehyde (146137-76-0)

Guidance literature:

n-butyllithium; diisopropylamine; In tetrahydrofuran; at 0 - 5 ℃; for 0.333333h; Nitrogen gasification; Stirring;

4-fluoro-1-iodobenzene; N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 1.3h; Stirring;

Reference yield: 99.0%

2-Fluoro-5-iodo-benzaldehyde (146137-76-0) → (2-fluoro-5-iodo-phenyl)-methanol (438050-27-2)

Guidance literature:

2-Fluoro-5-iodo-benzaldehyde; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 1.33333h;

With water; In ethyl acetate;

upstream raw materials:

4-fluoro-1-iodobenzene

N,N-dimethyl-formamide

n-butyllithium

diisopropylamine

Downstream raw materials:

methyl 5-iodobenzo[b]thiophene-2-carboxylate

2-fluoro-5-iodobenzaldehyde oxime

2,2,2-trifluoro-N-[(1R)-2-[4-[(2-formyl-4-iodophenyl)thio]phenyl]-1-methylethyl]acetamide

(2-fluoro-5-iodo-phenyl)-methanol

Refernces

• 1、 -. "Compounds and method for inhibiting MRP1". Page column 55. . Retrieved 2010/02/05.