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

American Custom Chemicals Corporation

Product number: CHM0021337
Product name: 2-METHYL-3-NITROPHENYLACETIC ACID
Purity: 95.00%
Packaging: 25G
Price: $1194.27
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0021337
Product name: 2-METHYL-3-NITROPHENYLACETIC ACID
Purity: 95.00%
Packaging: 100G
Price: $2793.95
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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23876-15-5

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