5-Iodo-2-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Iodo-2-methoxybenzaldehyde
• CAS No.: 42298-41-9
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.047
• Hs Code.: 2913000090
• European Community (EC) Number: 663-095-3
• NSC Number: 95686
• DSSTox Substance ID: DTXSID30294273
• Nikkaji Number: J701.836C
• Wikidata: Q72490107
• Mol file: 42298-41-9.mol

Synonyms:5-iodo-2-methoxybenzaldehyde;42298-41-9;2-Methoxy-5-iodobenzaldehyde;NSC95686;NCIOpen2_005942;SCHEMBL3733145;DTXSID30294273;PIRKMHAREMCDPZ-UHFFFAOYSA-N;AMY40716;5-Iodo-2-methoxybenzaldehyde, 97%;GEO-04564;MFCD04128999;NSC-95686;STK399819;AKOS000313259;AB20799;AS-38025;A6911;CS-0110027;FT-0639784;J-509826

Chemical Property of 5-Iodo-2-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000465mmHg at 25°C
• Melting Point: 140-146℃
• Refractive Index: 1.633
• Boiling Point: 314.5 °C at 760 mmHg
• Flash Point: 144 °C
• PSA: 26.30000
• Density: 1.78 g/cm³
• LogP: 2.11230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air & Light Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

5-Iodo-2-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)I)C=O

Technology Process of 5-Iodo-2-methoxybenzaldehyde

There total 10 articles about 5-Iodo-2-methoxybenzaldehyde 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: 100.0%

5-iodosalicyclaldehyde (1761-62-2) + dimethyl sulfate (77-78-1) → 5-iodo-2-methoxy-benzaldehyde (42298-41-9)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 2h;

DOI:10.1002/anie.200602865

Reference yield: 98.0%

ortho-anisaldehyde (135-02-4) → 5-iodo-2-methoxy-benzaldehyde (42298-41-9)

Guidance literature:

With N-iodo-succinimide; [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); In dichloromethane; toluene; at 20 ℃; for 12h; Reagent/catalyst;

DOI:10.1055/s-0033-1340321

Reference yield: 98.0%

5-iodosalicyclaldehyde (1761-62-2) + methyl iodide (74-88-4) → 5-iodo-2-methoxy-benzaldehyde (42298-41-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm049580r

upstream raw materials:

2-methylmethoxybenzene

5-iodosalicyclaldehyde

methyl iodide

dimethyl sulfate

Downstream raw materials:

(2R,3S)-1-(tert-butoxycarbonyl)-2-(tert-butyldimethylsilyloxy)methyl-3-(3-formyl-4-methoxy-phenoxy)-pyrrolidine

4-iodo-1-methoxy-2-(2-methoxyvinyl)benzene

(Z)-4-iodo-2-(2-iodovinyl)-1-methoxybenzene

Refernces

• 1、 Racys, Daugirdas T.,Sharif, Salaheddin A. I.,Pimlott, Sally L.,Sutherland, Andrew. "Silver(I)-catalyzed iodination of arenes: Tuning the lewis acidity of N-iodosuccinimide activation". . p. 772 - 780. Retrieved 2016/02/18.
• 2、 -. "ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES". Page/Page column 43. . Retrieved 2014/02/15.