4-ISOPROPYLPHENOXYACETIC ACID
- Product Name
- 4-ISOPROPYLPHENOXYACETIC ACID
- CAS No.
- 1643-16-9
- Chemical Name
- 4-ISOPROPYLPHENOXYACETIC ACID
- Synonyms
- AKOS BBB/199;LABOTEST-BB LT00454270;4-ISOPROPYLPHENOXYACETIC ACID;[(4-Isopropylphenyl)oxy]acetic acid;4-ISOPROPYLPHENOXYACETIC ACID, 98+%;2-(4-propan-2-ylphenoxy)ethanoic acid;2-[4-(1-Methylethyl)phenoxy]acetic acid;[[4-(1-Methylethyl)phenyl]oxy]acetic acid;Acetic acid, 2-[4-(1-methylethyl)phenoxy]-
- CBNumber
- CB6206633
- Molecular Formula
- C11H14O3
- Formula Weight
- 194.23
- MOL File
- 1643-16-9.mol
4-ISOPROPYLPHENOXYACETIC ACID Property
- Melting point:
- 85-87°C
- Boiling point:
- 72-75℃ (3 Torr)
- Density
- 0.9450 g/cm3
- refractive index
- 1.4980 (589.3 nm 20℃)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.21±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- BRN
- 2261017
- InChI
- InChI=1S/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
- InChIKey
- FPVCSFOUVDLTDG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)COC1=CC=C(C(C)C)C=C1
- CAS DataBase Reference
- 1643-16-9(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-22
- Safety Statements
- 26-36
- HazardClass
- IRRITANT
- HS Code
- 2918999090
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.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- I873915
- Product name
- 2-(4-Isopropylphenoxy)aceticAcid
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 024034
- Product name
- 2-(4-Isopropylphenoxy)acetic acid
- Packaging
- 500mg
- Price
- $12
- Updated
- 2021/12/16
- Product number
- 024034
- Product name
- 2-(4-Isopropylphenoxy)acetic acid
- Packaging
- 1g
- Price
- $19
- Updated
- 2021/12/16
- Product number
- C111
- Product name
- 4-Isopropylphenoxyaceticacid
- Packaging
- 1g
- Price
- $20
- Updated
- 2021/12/16
- Product number
- OR903364
- Product name
- 4-Isopropylphenoxyaceticacid
- Purity
- 95%
- Packaging
- 5g
- Price
- $145
- Updated
- 2021/12/16
4-ISOPROPYLPHENOXYACETIC ACID Chemical Properties,Usage,Production
Synthesis
14062-21-6
1643-16-9
1. 4-Isopropylphenol (1.007 g, 7.39 mmol) was dissolved in 15 mL of dimethylformamide as starting material, potassium carbonate (2.04 g, 14.79 mmol) and ethyl bromoacetate (1.23 mL, 11.09 mmol) were added. The reaction mixture was stirred at room temperature for 48 hours. After completion of the reaction, the mixture was diluted with 500 mL of water and extracted with ether (2 x 200 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The resulting crude product was purified by fast column chromatography (eluent: 10% ethyl acetate/hexane) to give 1.61 g (98%) of ethyl 4-isopropylphenoxyacetate as a colorless oil.MS (APCI) m/z: 223.3 [M + H]+. 1H NMR (400 MHz, CDCl3) δ: 7.14 (d, 2H), 6.84 (d, 2H) , 4.59 (s, 2H), 4.27 (q, 2H), 2.86 (m, 1H), 1.30 (t, 3H), 1.21 (d, 6H). 2. A mixture of ethyl 4-isopropylphenoxyacetate (1.61 g, 7.24 mmol) and 2 N NaOH aqueous solution (10.9 mL) in 20 mL of methanol was stirred at room temperature for 3 hr and then concentrated under reduced pressure. The residue was dissolved in 100 mL of water, acidified with 1 N aqueous hydrochloric acid to pH < 7, and then extracted with ethyl acetate (2 x 100 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 1.32 g (94%) of 4-isopropylphenoxyacetic acid as a white solid.MS (APCI) m/z: 195.3 [M + H]+.1H NMR (400 MHz, CDCl3) δ: 7.17 (d, 2H), 6.86 (d, 2H), 4.66 (s, 2H) , 2.87 (m, 1H), 1.22 (d, 6H). 3. Benzyl 2-methyl-2-(3-piperidin-3-yl-phenoxy)-propionate (30 mg, 0.085 mmol) was dissolved in 1 mL of dichloromethane, 4-isopropylphenoxyacetic acid (33 mg, 0.17 mmol) and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (33 mg, 0.17 mmol) were added and stirred at room temperature for 18 hours. The reaction mixture was concentrated under reduced pressure and the crude product was purified by fast column chromatography (eluent: 30% ethyl acetate/hexane) to afford 35 mg (78%) of benzyl 2-(3-{1-{(4-isopropylphenoxy)acetyl]piperidin-3-yl}-phenoxy)-2-methyl-propanoate as a colorless oil.LC-MS m/z: 530.6 [M + H]+. 1H NMR (400 MHz, CDCl3) δ: 7.24 (m, 5H), 7.14 (m, 3H), 6.89 (m, 2H), 6.83 (m, 1H), 6.71 (s, 1H), 6.61 (d, 1H), 5.19 (s, 2H), 4.64 (m, 3H), 4.07 (d, 1H), 3.04 (t, 1H), 2.97 (m, 1H), 2.89 (m, 1H), 2.47 (m, 2H), 1.95 (m, 1H), 1.82 (m, 1H), 1.61 (s, 6H), 1.21 (d, 6H). 4. Benzyl 2-(3-{1-[(4-isopropylphenoxy)acetyl]piperidin-3-yl}-phenoxy)-2-methyl-propanoate (35 mg, 0.066 mmol) was dissolved in 2 mL of methanol, 10% palladium-carbon (4 mg, 10 wt%) was added, and hydrogenated at atmospheric pressure for 3 hours. The reaction mixture was filtered through diatomaceous earth and washed well with ethyl acetate. The filtrates were combined and concentrated under reduced pressure to give 29 mg (99%) of 2-(3-{1-[(4-isopropylphenoxy)acetyl]piperidin-3-yl}-phenoxy)-2-methyl-propanoic acid as a colorless oil.LC-MS m/z: 440.5 [M + H]+. 1H NMR (400 MHz, CDCl3) δ: 7.19 (t, 1H), 7.14 (t, 2H), 6.87 (m, 3H), 6.81 (m, 2H), 4.66 (m, 3H), 4.04 (dd, 1H), 3.05 (m, 1H), 2.85 (m, 1H), 2.65 (m, 2H), 2.02 (t, 1H), 1.82 (t, 1H), 1.65 (m, 1H), 1.59 (s, 6H), 1.21 (d, 6H). 1.21 (d, 6H).
References
[1] Patent: WO2004/48334, 2004, A1. Location in patent: Page 128-130
4-ISOPROPYLPHENOXYACETIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-ISOPROPYLPHENOXYACETIC ACID manufacturers
- Product
- 4-isopropylphenoxyacetic acid 1643-16-9
- Price
- US $1.00/KG
- Min. Order
- 1g
- Purity
- 98%
- Supply Ability
- 200kgs
- Release date
- 2020-01-09