138564-59-7

Basic information

• Product Name: 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
• Synonyms: 2-(2'-NITROANILINE)-3-CYANO-5-METHYL THIOPHENE;2-(2-NITROANILINO)-5-METHYL-3-THIOPHENECARBONITRILE;3-CYANO-5-METHYL-2-(2-NITROANILINO)THIOPHENE;2-(2-Nitro Anilino)-5-Methyl Thiophene-3-Carbonitrile;2-(2'-NITROPHENYLAMINE)-3-CYANO-5-METHYLTHIOFURAN;5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile;5-METHYL-2-[(2-NITROPHENYL)AMINO]THIOPHENE-3-CARBONITRILE;2-(2-NITROANILINO)-5-METHYL THIOPHENE-3-CARBONITRILE 98.0+%
• CAS NO: 138564-59-7
• Molecular Formula: C₁₂H₉N₃O₂S
• Molecular Weight: 259.28
• EINECS: 421-300-1
• Product Categories: Aromatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Olanzapine
• Mol File: 138564-59-7.mol
• Article Data: 23

Chemical Properties

• Melting Point: 109.0 to 115.0 °C
• Boiling Point: 425.4 °C at 760 mmHg
• Flash Point: 211.1 °C
• Appearance: /
• Density: 1.39 g/cm³
• Vapor Pressure: 1.92E-07mmHg at 25°C
• Refractive Index: 1.659
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: -3.24±0.50(Predicted)
• BRN: 7485862
• CAS DataBase Reference: 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile(138564-59-7)
• EPA Substance Registry System: 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile(138564-59-7)

Safety Data

• Hazard Codes: N
• Statements: 22-50/53
• Safety Statements: 22-60-61
• RIDADR: UN 3077 9 / PGIII
• HazardClass: 9
• PackingGroup: III
• Hazardous Substances Data: 138564-59-7(Hazardous Substances Data)

Usage

Description

5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile is an organic compound with a chemical structure that features a thiophene ring, a nitrophenyl group, and a methyl group. It is characterized as a red solid and is known to be an impurity in the pharmaceutical compound Olanzapine (O253750), specifically referred to as Olanzapine impurity A (EP).

Uses

Used in Pharmaceutical Industry:
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile is used as an impurity reference standard for the quality control and analysis of Olanzapine (O253750). Its presence in the pharmaceutical compound is crucial for ensuring the purity and safety of the drug, as impurities can affect the drug's efficacy and potential side effects.
As an impurity reference standard, it is utilized in the development and validation of analytical methods, such as high-performance liquid chromatography (HPLC) and other chromatographic techniques, to accurately quantify and control the levels of impurities in the final drug product. This helps in maintaining the quality and consistency of the pharmaceutical product, ultimately contributing to the overall safety and efficacy of the medication for patients.

InChI:InChI=1/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3

Upstream product

• 609-73-4 o-nitroiodobenzene 
• 138564-58-6 2-amino-5-methylthiophene-3-carbonitrile 
• 3320-86-3 2-nitrophenyl isocyanate 
• 1493-27-2 ortho-nitrofluorobenzene 

Downstream Products

• 873895-41-1 2-[(2-aminophenyl)amino]-5-methylthiophene-3-carbonitrile 
• 132539-06-1 zyprexa 
• 221176-49-4 2-methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-one 
• 612503-08-9 2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine 
• 174794-02-6 Olanzapine N-Oxide 
• 161696-76-0 N-desmethyl olanzapine 

Relevant articles and documents

Catalyst-free and selective synthesis of 2-aminothiophenes and 2-amino-4,5-dihydrothiophenes from 4-thiazolidinones in water

2-Aminothiophenes and 2-amino-4,5-dihydrothiophenes were selectively and conveniently synthesized from 4-thiazolidinone derivatives. The meaningful product 10m was efficiently synthesized, which is a commonly-used intermediate for preparing olanzapine. The present method holds many advantages, such as easy operation, high yields, is catalyst-free and uses water as the solvent.

Antibodies to Olanzapine Haptens and Use Thereof

Disclosed is an antibody which binds to olanzapine, which can be used to detect olanzapine in a sample such as in a competitive immunoassay method. The antibody can be used in a lateral flow assay device for point-of-care detection of olanzapine, including multiplex detection of aripiprazole, olanzapine, quetiapine, and risperidone in a single lateral flow assay device.

HAPTENS OF OLANZIPINE

The invention relates to compounds of Formula I, wherein R1, R2, and R3 are defined in the specification, useful for the synthesis of novel conjugates and immunogens derived from olanzapine. The invention also relates to conjugates of an olanzapine hapten and a protein.