METHYL 3-IODO-4-METHYLBENZOATE
- Product Name
- METHYL 3-IODO-4-METHYLBENZOATE
- CAS No.
- 90347-66-3
- Chemical Name
- METHYL 3-IODO-4-METHYLBENZOATE
- Synonyms
- 3-Iodo-4-methyL;METHYL 3-IODO-4-METH;Methyl 3-Iodo-p-toluate;3-IODO-4-METHYLBENZOATEMETHYL;METHYL 3-IODO-4-METHYLBENZOATE;Methyl3-Iodo-4-methylbenzoate>3-Iodo-p-toluic Acid Methyl Ester;Methyl 3-iodo-4-methylbenzoate 98%;3-IODO-4-METHYLBENZOIC ACID METHYL ESTER;Benzoic acid, 3-iodo-4-methyl-, methyl ester
- CBNumber
- CB5344259
- Molecular Formula
- C9H9IO2
- Formula Weight
- 276.07
- MOL File
- 90347-66-3.mol
METHYL 3-IODO-4-METHYLBENZOATE Property
- Boiling point:
- 302.9±30.0 °C(Predicted)
- Density
- 1.666±0.06 g/cm3(Predicted)
- refractive index
- 1.5975
- storage temp.
- 2-8°C(protect from light)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Yellow
- Water Solubility
- Not miscible or difficult to mix with water.
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
- InChIKey
- NKMHAOTZPFVSPC-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(C)C(I)=C1
Safety
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- M2694
- Product name
- Methyl 3-Iodo-4-methylbenzoate
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $39
- Updated
- 2025/07/31
- Product number
- M2694
- Product name
- Methyl 3-Iodo-4-methylbenzoate
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $122
- Updated
- 2025/07/31
- Product number
- M313750
- Product name
- Methyl 3-Iodo-4-methylbenzoate
- Packaging
- 10g
- Price
- $95
- Updated
- 2021/12/16
- Product number
- OR13678
- Product name
- Methyl 3-Iodo-4-methylbenzoate
- Packaging
- 10g
- Price
- $37
- Updated
- 2021/12/16
- Product number
- HCH0021975
- Product name
- 3-IODO-4-METHYLBENZOIC ACID METHYL ESTER
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $117.6
- Updated
- 2021/12/16
METHYL 3-IODO-4-METHYLBENZOATE Chemical Properties,Usage,Production
Chemical Properties
White crystalline
Uses
Methyl 3-Iodo-4-methylbenzoate is used as a reagent in the synthesis of [(pyrazolo[1,5-a]pyridmidinyl)ethynyl]benzamides as selective discoidin domain receptor 1 (DDR1) inhibitors. Also used as a reagent in the preparation of orally bioavailable GZD824 targeting Breakpoint Cluster Region-Abelson (Bcr-Abl) kinase and overcoming antitumor drug resistance.
Synthesis
67-56-1
82998-57-0
90347-66-3
1. 3-iodo-4-methylbenzoic acid (28.0 g, 0.107 mol) was dissolved in methanol (300 mL) at 0 °C. 2. Concentrated sulfuric acid (30 mL) was added slowly to the above solution. 3. The reaction mixture was heated to 60 °C and kept reacting overnight. 4. When the reaction is complete, cool to room temperature and remove the solvent by distillation under reduced pressure. 5. The residue was carefully poured into ice water (200 mL) and extracted with ethyl acetate (500 mL). 6. The organic phase was washed sequentially with water (100 mL), saturated sodium bicarbonate solution (100 mL) and brine (100 mL). 7. The organic phase was dried over anhydrous magnesium sulfate, filtered and concentrated to afford the target product methyl 3-iodo-4-methylbenzoate as a brown oil (29.0 g, 98% yield). 8. The product was characterized by 1H NMR (400 MHz, CDCl3): δ8.47 (d, J=1.7 Hz, 1H), 7.90 (dd, J=7.9 Hz, 1.7 Hz, 1H), 7.29 (d, J=7.9 Hz, 1H), 3.90 (s, 3H), 2.48 (s, 3H).
References
[1] Collection of Czechoslovak Chemical Communications, 1999, vol. 64, # 4, p. 649 - 672
[2] Patent: WO2014/8197, 2014, A1. Location in patent: Page/Page column 71
[3] Patent: WO2015/95767, 2015, A1. Location in patent: Page/Page column 86
[4] Patent: EP2322176, 2011, A1. Location in patent: Page/Page column 21
[5] Patent: WO2011/57757, 2011, A1. Location in patent: Page/Page column 36-37
METHYL 3-IODO-4-METHYLBENZOATE Preparation Products And Raw materials
Raw materials
Preparation Products
METHYL 3-IODO-4-METHYLBENZOATE Suppliers
- Tel
- 320-37350700
- Fax
- +32 (0)37350701
- sales@tcieurope.eu
- Country
- Europe
- ProdList
- 23671
- Advantage
- 75
View Lastest Price from METHYL 3-IODO-4-METHYLBENZOATE manufacturers
- Product
- Methyl 3-iodo-4-methylbenzoate 90347-66-3
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-27
- Product
- METHYL 3-IODO-4-METHYLBENZOATE 90347-66-3
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- JD 789
- Release date
- 2019-09-02