5-Hydroxy-2-iodobenzaldehyde

Base Information

• Chemical Name: 5-Hydroxy-2-iodobenzaldehyde
• CAS No.: 50765-11-2
• Molecular Formula: C7H5 I O2
• Molecular Weight: 248.02
• Hs Code.: 2913000090
• NSC Number: 129609
• DSSTox Substance ID: DTXSID70299363
• Wikidata: Q82041723
• Mol file: 50765-11-2.mol

Synonyms:5-hydroxy-2-iodobenzaldehyde;50765-11-2;5-Hydroxy-2-iodo-benzaldehyde;MFCD09025923;NSC129609;2-Jod-5-oxy-benzaldehyd;SCHEMBL4259432;DTXSID70299363;AKOS015904200;NSC-129609;5-hydroxy-2-iodobenzaldehyde, AldrichCPR;DS-16223;SY104099;FT-0718701

Chemical Property of 5-Hydroxy-2-iodobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000151mmHg at 25°C
• Melting Point: 125 °C
• Boiling Point: 322.2°C at 760 mmHg
• PKA: 8.63±0.18(Predicted)
• Flash Point: 148.7°C
• PSA: 37.30000
• Density: 2.039g/cm³
• LogP: 1.80930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.93343
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C=O)I

Technology Process of 5-Hydroxy-2-iodobenzaldehyde

There total 4 articles about 5-Hydroxy-2-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: 87.0%

2-iodo-5-methoxybenzaldehyde (77287-58-2) → 2-iodo-5-hydroxybenzaldehyde (50765-11-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 3h; Inert atmosphere;

Reference yield: 22.0%

meta-hydroxybenzaldehyde (100-83-4) → 2-iodo-5-hydroxybenzaldehyde (50765-11-2)

Guidance literature:

With tetrafluoroboric acid diethyl ether; [bis(pyridine)iodine]⁺ tetrafluoroborate; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1080/00304948.2017.1320924

Reference yield:

water (7732-18-5) + iodine (7553-56-2,12190-71-5,8031-47-8) + sodium acetate (127-09-3) + meta-hydroxybenzaldehyde (100-83-4) → 2-iodo-5-hydroxybenzaldehyde (50765-11-2) + 3-hydroxy-2,6-diiodo-benzaldehyde (683228-53-7) + 3-hydroxy-2,4,6-triiodobenzaldehyde (224641-82-1)

Guidance literature:

DOI:10.1039/jr9370000076

upstream raw materials:

meta-hydroxybenzaldehyde

water

iodine

sodium acetate

Downstream raw materials:

5-(benzyloxy)-2-iodobenzaldehyde

(5-(benzyloxy)-2-iodophenyl)methanol

5-Benzyloxy-2-iodbenzylchlorid

2-(5-Hydroxy-2-iodphenyl)aethylamin

Refernces

• 1、 Xiao, Jian,Cong, Xiao-Wei,Yang, Gui-Zhen,Wang, Ya-Wen,Peng, Yu. "Stereoselective synthesis of a: Podophyllum lignan core by intramolecular reductive nickel-catalysis". supporting information. p. 2040 - 2043. Retrieved 2018/03/01.
• 2、 -. "ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS". Page/Page column 70. . Retrieved 2016/05/02.