ChemicalBook > CAS DataBase List > 2-Methyl-3-nitrophenylacetic Acid
2-Methyl-3-nitrophenylacetic Acid
- Product Name
- 2-Methyl-3-nitrophenylacetic Acid
- CAS No.
- 23876-15-5
- Chemical Name
- 2-Methyl-3-nitrophenylacetic Acid
- Synonyms
- Ropinirole Intermediate 1;(3-NITRO-O-TOLYL)ACETIC ACID;2-Methyl-3-nitrohenylacetic acid;2-METHYL-3-NITROPHENYLACETIC ACID;2-Methyl-3-nitro-benzeneaceticaci;2-METHYL-3-NITRO-BENZENEACETIC ACID;2-Methy1-3-nitro-benzeneacetic acid;2-Methyl-3-nitrophenylaceticAcid>Benzeneacetic acid, 2-Methyl-3-nitro-;2-(2-methyl-3-nitrophenyl)acetic acid
- CBNumber
- CB9322974
- Molecular Formula
- C9H9NO4
- Formula Weight
- 195.17
- MOL File
- 23876-15-5.mol
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2-Methyl-3-nitrophenylacetic Acid Property
- Melting point:
- 132-136 °C
- Boiling point:
- 377.6±27.0 °C(Predicted)
- Density
- 1.346±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- soluble in Methanol
- form
- Solid
- pka
- 4.05±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
- InChIKey
- LWIOFILTAJJDLA-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)=CC=CC([N+]([O-])=O)=C1C
- CAS DataBase Reference
- 23876-15-5(CAS DataBase Reference)
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Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-24/25
- WGK Germany
- 3
- Hazard Note
- Irritant
- HS Code
- 29163990
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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.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 720216
- Product name
- 2-Methyl-3-nitrophenylacetic acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $35
- Updated
- 2023/06/20
TCI Chemical
- Product number
- M1817
- Product name
- 2-Methyl-3-nitrophenylacetic Acid
- Purity
- >96.0%(GC)(T)
- Packaging
- 5g
- Price
- $28
- Updated
- 2025/07/31
TRC
- Product number
- M339318
- Product name
- 2-Methyl-3-nitrophenylacetic Acid
- Packaging
- 2.5g
- Price
- $75
- Updated
- 2021/12/16
AK Scientific
- Product number
- F513
- Product name
- 2-Methyl-3-nitrophenylacetic Acid
- Packaging
- 5g
- Price
- $14
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 073222
- Product name
- (2-Methyl-3-nitrophenyl)acetic acid
- Purity
- 95+%
- Packaging
- 5g
- Price
- $30
- Updated
- 2021/12/16
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2-Methyl-3-nitrophenylacetic Acid Chemical Properties,Usage,Production
Chemical Properties
Yellow solid
Uses
2-Methyl-3-nitrophenylacetic Acid is a pharmaceutical intermediate compound used in the preparation of ropinirole hydrochloride, an oral non-ergot alkaloid dopamine agonist used to treat the symptoms of Parkinson's disease and restless legs syndrome.
Synthesis
23876-14-4
23876-15-5
General procedure for the synthesis of 2-methyl-3-nitrophenylacetic acid from 2-methyl-3-nitrobenzonitrile: To a solution of 2-methyl-3-nitrophenylacetonitrile (500 mg, 2.8 mmol) in ethanol (30 mL) was added a 20% w/v aqueous KOH solution (30 mL). The reaction mixture was heated to reflux for 18 hours. After completion of the reaction, it was cooled to room temperature and extracted with dichloromethane (50 mL) to separate the aqueous layer. The aqueous layer was acidified to pH 2 with 2N HCl aqueous solution and subsequently extracted with ethyl acetate (50 mL) and dichloromethane (50 mL). The organic phases were combined, dried over anhydrous magnesium sulfate, and the solvent was concentrated under reduced pressure to afford the light brown solid product 2-methyl-3-nitrophenylacetic acid (470 mg, 86% yield). The product was characterized by 1H NMR (400 MHz, CD3OD) with chemical shifts δ (ppm) of 7.66 (d, 1H), 7.50 (d, 1H), 7.34 (t, 1H), 3.79 (s, 2H), 2.37 (s, 3H).
References
[1] Journal of Medicinal Chemistry, 1985, vol. 28, # 10, p. 1533 - 1536
[2] Patent: US2005/267096, 2005, A1. Location in patent: Page/Page column 29
[3] Journal of the Chemical Society. Perkin transactions 1, 1969, vol. 14, p. 1935 - 1939
[4] Journal of the Chemical Society. Perkin transactions 1, 1969, vol. 14, p. 1935 - 1939
[5] Patent: WO2006/123356, 2006, A1. Location in patent: Page/Page column 22; 23
2-Methyl-3-nitrophenylacetic Acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-Methyl-3-nitrophenylacetic Acid manufacturers
Hebei Chuanghai Biotechnology Co., Ltd
- Product
- 2-Methyl-3-nitro-benzeneacetic acid 23876-15-5
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-01
Henan Aochuang Chemical Co.,Ltd.
- Product
- 2-Methyl-3-nitro-benzeneacetic acid 23876-15-5
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-27
Henan Fengda Chemical Co., Ltd
- Product
- 2-Methyl-3-nitro-benzeneacetic acid 23876-15-5
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-25
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