2-Methyl-3-nitrophenylacetic Acid

Base Information

• Chemical Name: 2-Methyl-3-nitrophenylacetic Acid
• CAS No.: 23876-15-5
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 29163990
• DSSTox Substance ID: DTXSID40543082
• Nikkaji Number: J2.649.803A
• Wikidata: Q72493415
• Mol file: 23876-15-5.mol

Synonyms:23876-15-5;2-Methyl-3-nitrophenylacetic Acid;2-(2-Methyl-3-nitrophenyl)acetic acid;2-methyl-3-nitro-benzeneacetic acid;(2-Methyl-3-nitrophenyl)acetic acid;2-Methyl-3-nitrophenylaceticacid;MFCD07782132;2-METHYL-3-NITROBENZENEACETIC ACID;Benzeneacetic acid, 2-methyl-3-nitro-;(3-Nitro-o-tolyl)acetic Acid;2-methyl-3-nitro phenyl acetic acid;SCHEMBL1294540;DTXSID40543082;LWIOFILTAJJDLA-UHFFFAOYSA-N;2-Methyl-3-nitro phenylaceticacid;inverted exclamation markY96%(GC);2-methyl-3-nitro-benzene acetic acid;AKOS009538207;AC-4370;CS-W003436;DS-0611;PS-4105;Ethanone, 2-(4-iodophenyl)-1-phenyl-;2-Methyl-3-nitrophenylacetic acid, 97%;SY005250;2-(2-methyl-3-nitro-phenyl)ethanoic acid;AM20050552;M1817;EN300-114575;A816959;W-206861;Z425791912;(2-Methyl-3-nitrophenyl)acetic Acid;2-(2-methyl-3-nitro-phenyl)acetic acid

Chemical Property of 2-Methyl-3-nitrophenylacetic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 133-135 °C
• Refractive Index: 1.587
• Boiling Point: 377.643 °C at 760 mmHg
• PKA: 4.05±0.10(Predicted)
• Flash Point: 168.053 °C
• PSA: 83.12000
• Density: 1.346 g/cm³
• LogP: 2.05350
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-nitrophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

Technology Process of 2-Methyl-3-nitrophenylacetic Acid

There total 13 articles about 2-Methyl-3-nitrophenylacetic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.5%

2-iodo-6-nitrotoluene (41252-98-6) + ethyl iodoacetae (623-48-3) → 2-(3-nitro-2-methylphenyl)acetic acid (23876-15-5)

Guidance literature:

With magnesium ethylate; In tetrahydrofuran; isopropyl alcohol; at 112 - 140 ℃; for 3.83333h; under 3420.23 - 6080.41 Torr; Pressure; Temperature; Inert atmosphere;

Reference yield: 98.6%

2-bromo-6-nitrotoluene (55289-35-5) + ethyl iodoacetae (623-48-3) → 2-(3-nitro-2-methylphenyl)acetic acid (23876-15-5)

Guidance literature:

With magnesium ethylate; In tetrahydrofuran; isopropyl alcohol; at 120 - 155 ℃; for 5h; under 3800.26 - 6840.46 Torr; Inert atmosphere;

Reference yield: 98.1%

6-chloro-2-nitrotoluene (83-42-1) + ethyl bromoacetate (105-36-2) → 2-(3-nitro-2-methylphenyl)acetic acid (23876-15-5)

Guidance literature:

With magnesium ethylate; In ethanol; isopropyl alcohol; at 100 - 130 ℃; for 2.5h; under 2280.15 - 5320.36 Torr; Inert atmosphere;

upstream raw materials:

3-nitro-2-methylphenylacetonitrile

ethyl 2-(2-methyl-3-nitrophenyl)acetate

2-methyl-3-nitrobenzic acid

(2-methyl-3-nitrophenyl)methanol

Downstream raw materials:

(3-amino-2-methylphenyl)acetic acid

N-(4-methoxyphenethyl)-N-(2-methyl-3-nitrophenethyl)-N-n-propylamine

1-(2-dipropylaminoethyl)-2-methyl-3-nitrobenzene

Ropinirole

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE". Page/Page column 22; 23. . Retrieved 2008/06/13.
• 2、 -. "ESTER COMPOUND AND MEDICINAL USE THEREOF". Page 161. . Retrieved 2008/06/13.