3-BROMO-4-IODOBENZOIC ACID METHYL ESTER
- Product Name
- 3-BROMO-4-IODOBENZOIC ACID METHYL ESTER
- CAS No.
- 249647-24-3
- Chemical Name
- 3-BROMO-4-IODOBENZOIC ACID METHYL ESTER
- Synonyms
- Methyl 3-bromo-4-iodobenzoate;3-BROMO-4-IODOBENZOIC ACID METHYL ESTER;Benzoic acid,3-broMo-4-iodo-, Methyl ester
- CBNumber
- CB9769209
- Molecular Formula
- C8H6BrIO2
- Formula Weight
- 340.94
- MOL File
- 249647-24-3.mol
3-BROMO-4-IODOBENZOIC ACID METHYL ESTER Property
- Melting point:
- 56-60°C
- Boiling point:
- 328.1±27.0 °C(Predicted)
- Density
- 2.059±0.06 g/cm3(Predicted)
- Flash point:
- >110℃
- storage temp.
- 2-8°C
- form
- solid
- color
- Light yellow to orange
- InChI
- InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
- InChIKey
- OIMBMPVAESWCEA-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(I)C(Br)=C1
Safety
- WGK Germany
- 3
- HS Code
- 2916310090
- Storage Class
- 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects - Hazard Classifications
- Acute Tox. 3 Oral
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P271Use only outdoors or in a well-ventilated area.
N-Bromosuccinimide Price
- Product number
- 766488
- Product name
- Methyl 3-bromo-4-iodobenzoate
- Purity
- 97%
- Packaging
- 500mg
- Price
- $120
- Updated
- 2023/06/20
- Product number
- M296145
- Product name
- Methyl 3-bromo-4-iodobenzoate
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- M296145
- Product name
- Methyl 3-bromo-4-iodobenzoate
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 2623-S-00
- Product name
- Methyl 3-bromo-4-iodobenzoate
- Packaging
- 1g
- Price
- $24
- Updated
- 2021/12/16
- Product number
- 2623-S-00
- Product name
- Methyl 3-bromo-4-iodobenzoate
- Packaging
- 5G
- Price
- $72
- Updated
- 2021/12/16
3-BROMO-4-IODOBENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production
Uses
3-Bromo-4-iodobenzoic acid methyl ester is a reactant used in the preparation of selective inhibitors.
Synthesis
106896-49-5
249647-24-3
The general procedure for the synthesis of methyl 3-bromo-4-iodobenzoate from methyl 4-amino-3-bromobenzoate was as follows: methyl 4-amino-3-bromobenzoate (5.0 g, 22.0 mmol, purchased from Aldrich) was dissolved in acetone (35 mL), followed by the addition of 6 M hydrochloric acid (35 mL). The reaction mixture was cooled to 0 °C and sodium nitrite (NaNO2, 1.84 g, 26.1 mmol) dissolved in 10 mL of water was added dropwise. After stirring the reaction mixture at 0 °C for 2 h, potassium iodide (KI, 5.47 g, 32.6 mmol) dissolved in 20 mL of water was added slowly. The reaction mixture was gradually warmed to room temperature and stirring was continued for 1 hour. Upon completion of the reaction, the reaction mixture was diluted with water and extracted with ethyl acetate (EtOAc, 2 x 150 mL). The organic phases were combined and dried over anhydrous sodium sulfate (Na2SO4) and subsequently concentrated under vacuum. The residue was purified by column chromatography (using an 80 g Redi-Sep column) with the eluent gradually adjusted from 100% heptane to 20:80 ethyl acetate:heptane, resulting in the target product methyl 3-bromo-4-iodobenzoate (4.1 g, 55% yield) as a solid. The 1H NMR (CDCl3) data of the product were as follows: δ 8.27 (1H), 7.98 (1H), 7.64 (1H), 3.94 (3H).
References
[1] Angewandte Chemie - International Edition, 2008, vol. 47, # 42, p. 8108 - 8111
[2] Patent: US2012/232026, 2012, A1. Location in patent: Paragraph 0440; 0441
[3] Patent: US2012/35122, 2012, A1. Location in patent: Paragraph 0760; 0761
[4] Organic and Biomolecular Chemistry, 2012, vol. 10, # 25, p. 4907 - 4915
3-BROMO-4-IODOBENZOIC ACID METHYL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-BROMO-4-IODOBENZOIC ACID METHYL ESTER manufacturers
- Product
- 3-BROMO-4-IODOBENZOIC ACID METHYL ESTER 249647-24-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2019-07-12