ChemicalBook > CAS DataBase List > METHYL 3-IODO-4-METHYLBENZOATE

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

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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

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Safety

Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2916399090

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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.

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N-Bromosuccinimide Price

TCI Chemical

Product number: M2694
Product name: Methyl 3-Iodo-4-methylbenzoate
Purity: >98.0%(GC)
Packaging: 5g
Price: $39
Updated: 2025/07/31

TCI Chemical

Product number: M2694
Product name: Methyl 3-Iodo-4-methylbenzoate
Purity: >98.0%(GC)
Packaging: 25g
Price: $122
Updated: 2025/07/31

TRC

Product number: M313750
Product name: Methyl 3-Iodo-4-methylbenzoate
Packaging: 10g
Price: $95
Updated: 2021/12/16

AK Scientific

Product number: N633
Product name: Methyl 3-Iodo-4-methylbenzoate
Packaging: 5g
Price: $22
Updated: 2021/12/16

Apolloscientific

Product number: OR13678
Product name: Methyl 3-Iodo-4-methylbenzoate
Packaging: 10g
Price: $37
Updated: 2021/12/16

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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

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View Lastest Price from METHYL 3-IODO-4-METHYLBENZOATE manufacturers

Henan Aochuang Chemical Co.,Ltd.

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

Career Henan Chemical Co

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

90347-66-3, METHYL 3-IODO-4-METHYLBENZOATERelated Search:

3-Iodo-4-methylbenzoic acid METHYL 4-IODO-3-METHYLBENZOATE Methyl 2-iodo-6-methylbenzoate METHYL 2-IODO-6-METHYLBENZOATE Methyl 2-iodo-3-methylbenzoate Methyl 2-iodo-5-methylbenzoate Methyl 3-iodo-2-methylbenzoate METHYL 5-IODO-2-METHOXY-4-METHYLBENZOATE DIMETHYL IODOTEREPHTHALATE 2-AMINO-5-IODO-4-ISOPROPYL-BENZOIC ACID METHYL ESTER ETHYL 2-ETHOXY-5-IODO-4-METHYLBENZOATE METHYL 3-IODO-4-METHYLBENZOATE 3-IODO-4-METHYL-5-NITROMETHYL BENZOATE ETHYL 3-IODO-4-METHYLBENZOATE

3-IODO-4-METHYLBENZOIC ACID METHYL ESTER

METHYL 3-IODO-4-METHYLBENZOATE

METHYL 3-IODO-4-METH

2-Iodo-4-(methoxycarbonyl)toluene, Methyl 3-iodo-p-toluate

Methyl3-Iodo-4-methylbenzoate&gt

3-Iodo-4-methyL

Benzoic acid, 3-iodo-4-methyl-, methyl ester

3-Iodo-p-toluic Acid Methyl Ester

Methyl 3-Iodo-p-toluate

Benzoic acid, 3-iodo-4-methyl-, methyl ester (9CI, ACI)

3-iodo-4-methyl-Benzoic acid methyl ester (9CI ACI)

3-IODO-4-METHYLBENZOATEMETHYL

Methyl 3-iodo-4-methylbenzoate 98%

90347-66-3

Benzenes

Aromatic Esters

Miscellaneous

Acids & Esters

Iodine Compounds