Methyl 3-(4-Iodophenyl)propanoate

Product Name: Methyl 3-(4-Iodophenyl)propanoate
CAS No.: 33994-44-4
Chemical Name: Methyl 3-(4-Iodophenyl)propanoate
Synonyms: Methyl 3-(4-Iodophenyl)propanoate;3-(4-iodophenyl)propionic acid methyl ester;Benzenepropanoic acid, 4-iodo-, methyl ester
CBNumber: CB62736460
Molecular Formula: C10H11IO2
Formula Weight: 290.1
MOL File: 33994-44-4.mol

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Methyl 3-(4-Iodophenyl)propanoate Property

storage temp.: 2-8°C(protect from light)
Appearance: White to light yellow Solid
InChI: InChI=1S/C10H11IO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKey: LDCXVBUZHUHPAJ-UHFFFAOYSA-N
SMILES: C1(CCC(OC)=O)=CC=C(I)C=C1

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: M313708
Product name: Methyl3-(4-Iodophenyl)propanoate
Packaging: 100mg
Price: $60
Updated: 2021/12/16

AK Scientific

Product number: 6984AJ
Product name: Methyl3-(4-iodophenyl)propanoate
Packaging: 1g
Price: $176
Updated: 2021/12/16

Crysdot

Product number: CD12081677
Product name: Methyl3-(4-Iodophenyl)propanoate
Purity: 95+%
Packaging: 5g
Price: $274
Updated: 2021/12/16

Ambeed

Product number: A276800
Product name: Methyl3-(4-Iodophenyl)propanoate
Purity: 97%
Packaging: 5g
Price: $307
Updated: 2021/12/16

Acrotein

Product number: AC-3345
Product name: Methyl3-(4-iodophenyl)propanoate
Purity: 97%
Packaging: 5g
Price: $495
Updated: 2021/12/16

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Methyl 3-(4-Iodophenyl)propanoate Chemical Properties,Usage,Production

Uses

Methyl 3-(4-Iodophenyl)propanoate is used as a reactant in the preparation of HKGreen-1, a highly selective fluorescent probe for the detection of peroxynitrite in living cells.

Synthesis

67-56-1

1643-29-4

33994-44-4

Methanol (5 mL) was cooled to 0°C under nitrogen protection and acetyl chloride (0.4 mL, 5.63 mmol) was added slowly and dropwise. After stirring the reaction for 10 min, 3-(4-iodophenyl)propionic acid (498 mg, 1.80 mmol) was slowly added. The reaction mixture was stirred at room temperature for VA h and subsequently concentrated under vacuum. The concentrate was redissolved in methanol and concentrated again to give 512 mg (98% yield) of pure white solid product methyl 3-(4-iodophenyl)propionate. Thin layer chromatography (TLC) Rf value was 0.39 (unfolding agent ratio: ethyl acetate:hexane = 1:4). Nuclear magnetic resonance hydrogen spectrum (1H NMR, CDCl3) δ 7.61-7.59 (m, 2H), 6.97-6.94 (m, 2H), 3.66 (s, 3H), 2.92-2.87 (t, 2H, J=7.5 Hz), 2.63-2.58 (t, 2H, J=7.5 Hz). Nuclear magnetic resonance carbon spectrum (13C NMR, CDCl3) δ 173.0, 140.1, 137.5, 130.4, 91.4, 51.7, 35.4, 30.4. electron bombardment mass spectrum (EI-MS) m/z 290.0 (MH+).

References

[1] Organic Letters, 2008, vol. 10, # 12, p. 2597 - 2600
[2] Patent: WO2009/137322, 2009, A2. Location in patent: Page/Page column 15
[3] Journal of the American Chemical Society, 2009, vol. 131, # 47, p. 17500 - 17521
[4] Journal of Medicinal Chemistry, 2008, vol. 51, # 22, p. 7061 - 7064
[5] Patent: WO2010/12650, 2010, A1. Location in patent: Page/Page column 39

Methyl 3-(4-Iodophenyl)propanoate Preparation Products And Raw materials

Raw materials

Preparation Products

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33994-44-4, Methyl 3-(4-Iodophenyl)propanoateRelated Search:

Methyl 3-(4-Iodophenyl)propanoate

3-(4-iodophenyl)propionic acid methyl ester

Benzenepropanoic acid, 4-iodo-, methyl ester

33994-44-4