| Identification | Back Directory | [Name]
3-Hydroxy-4-iodobenzoic acid | [CAS]
58123-77-6 | [Synonyms]
RARECHEM AL BE 0964
3-Hydroxy-4-Iodobenzoic
3-HYDROXY-4-IODOBENZOIC ACID
4-IODO-3-HYDROXY BENZOIC ACID
Benzoic acid, 3-hydroxy-4-iodo-
3-Hydroxy-4-iodobenzoic acid 97%
3-Hydroxy-4-iodobenzoic Acid > | [Molecular Formula]
C7H5IO3 | [MDL Number]
MFCD02068386 | [MOL File]
58123-77-6.mol | [Molecular Weight]
264.02 |
| Chemical Properties | Back Directory | [Melting point ]
225-229 °C
| [Boiling point ]
319.8±32.0 °C(Predicted) | [density ]
2.155±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
3.90±0.10(Predicted) | [color ]
White to Almost white | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11) | [InChIKey]
UABBBWVTEWIIMN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(I)C(O)=C1 |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
25-37/38-41-36/37/38 | [Safety Statements ]
26-36/39-45-37/39 | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
29225090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
3-Hydroxy-4-iodobenzoic acid reacts with 1,2-dibromoethane in the presence of potassium carbonate in DMF under nitrogen to give 2-bromoethyl 3-(2-bromoethoxy)-4-iodobenzoate, which is then reduced with DIBAL-H to 3-(2-bromoethoxy)-4-iodobenzyl alcohol [6]. | [Synthesis]
General procedure for the synthesis of 3-hydroxy-4-iodobenzoic acid from m-hydroxybenzoic acid: 21.0 g (0.52 mol, 1.05 eq.) of sodium hydroxide and 78.7 g (0.52 mol, 1.05 eq.) of sodium iodide were sequentially added to a 700 mL methanol solution containing 69.1 g (0.5 mol, 1 eq.) of 3-hydroxybenzoic acid. The reaction mixture was cooled to 0 °C, followed by slow dropwise addition of aqueous sodium hypochlorite (0.52 mol, 1.05 eq.). The reaction system was kept stirred at 0-5 °C for 2 h, after which stirring was continued overnight at room temperature. Upon completion of the reaction, methanol was removed by evaporation followed by acidification of the reaction mixture with concentrated hydrochloric acid solution. The precipitated product was collected by filtration, washed with water and dried to give 121 g of 3-hydroxy-4-iodobenzoic acid as an off-white solid in 92% yield. | [References]
[1] Patent: WO2006/18325, 2006, A1. Location in patent: Page/Page column 25-26
[2] Patent: WO2006/18326, 2006, A1. Location in patent: Page/Page column 78
[3] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995, # 9, p. 1103 - 1114
[4] Beilstein Journal of Organic Chemistry, 2009, vol. 5,
[5] Journal of the Chemical Society - Perkin Transactions 1, 1999, # 15, p. 2077 - 2086 |
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