METHYL 3-IODO-4-METHYLBENZOATE
- CAS No.
- 90347-66-3
- Chemical Name:
- METHYL 3-IODO-4-METHYLBENZOATE
- Synonyms
- 3-IODO-4-METHYLBENZOIC ACID METHYL ESTER;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%;Benzoic acid, 3-iodo-4-methyl-, methyl ester
- CBNumber:
- CB5344259
- Molecular Formula:
- C9H9IO2
- Molecular Weight:
- 276.07
- MDL Number:
- MFCD00230583
- MOL File:
- 90347-66-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 2916399090 | |||||||||
| NFPA 704 |
|
METHYL 3-IODO-4-METHYLBENZOATE price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | M2694 | Methyl 3-Iodo-4-methylbenzoate >98.0%(GC) | 90347-66-3 | 5g | $31 | 2026-04-30 | Buy |
| TCI Chemical | M2694 | Methyl 3-Iodo-4-methylbenzoate >98.0%(GC) | 90347-66-3 | 25g | $98 | 2026-04-30 | Buy |
| Usbiological | 283544 | Methyl 3-Iodo-4-methylbeNzoate Asreported | 90347-66-3 | 5g | $359 | 2026-06-03 | Buy |
| Usbiological | 283544 | Methyl 3-Iodo-4-methylbeNzoate Asreported | 90347-66-3 | 10g | $496 | 2026-06-03 | Buy |
| Usbiological | 283544 | Methyl 3-Iodo-4-methylbeNzoate Asreported | 90347-66-3 | 25g | $672 | 2026-06-03 | Buy |
METHYL 3-IODO-4-METHYLBENZOATE Chemical Properties,Uses,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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ShangHai ZiCheng Med-Pharm Technology Company Ltd. | 021-56710790 18721468858 | wangyh@fudan.edu.cn | China | 26 | 55 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| ChangShu Haitian Fine Chemicals Co.,Ltd | 13913622609 | 974295387@qq.com | China | 192 | 61 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 |
View Lastest Price from METHYL 3-IODO-4-METHYLBENZOATE manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-04-04 | Methyl 3-iodo-4-methylbenzoate
90347-66-3
|
1kg | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd. | ||
 |
2019-09-03 | METHYL 3-IODO-4-METHYLBENZOATE
90347-66-3
|
$7.00 | 1KG | 99% | Career Henan Chemical Co |
-
- Methyl 3-iodo-4-methylbenzoate
90347-66-3
- 98%
- Henan Aochuang Chemical Co.,Ltd.
-
- METHYL 3-IODO-4-METHYLBENZOATE
90347-66-3
- $7.00
- 99%
- Career Henan Chemical Co
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