102561-42-2

Basic information

• Product Name: 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE
• Synonyms: 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE;3-FLUORO-4-METHYLPHENYL ISOCYANATE;Benzene, 2-fluoro-4-isocyanato-1-methyl- (9CI);3-Fluoro-4-methylphenyl isocyanate 97%;3-Fluoro-4-methylphenylisocyanate97%;2-fluoro-4-isocyanato-1-methylbenzene(SALTDATA: FREE);2-Fluoro-4-isocyanato-1-methyl-benze
• CAS NO: 102561-42-2
• Molecular Formula: C₈H₆FNO
• Molecular Weight: 151.14
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7-C8;Chemical Synthesis;Fluorinated Building Blocks;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 102561-42-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 187-192 °C(lit.)
• Flash Point: 175 °F
• Appearance: /
• Density: 1.175 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.212mmHg at 25°C
• Refractive Index: n20/D 1.516(lit.)
• CAS DataBase Reference: 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE(102561-42-2)
• EPA Substance Registry System: 3-FLUORO-4-METHYLPHENYL ISOTHIOCYANATE(102561-42-2)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 102561-42-2(Hazardous Substances Data)

Usage

Uses

3-Fluoro-4-methylphenyl isocyanate may be used in the synthesis of 3-fluoro analogue of 5-(acetamido-methyl)oxazolidinones.

General Description

3-Fluoro-4-methylphenyl isocyanate, also known as 2-fluoro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group.

InChI:InChI=1/C8H6FNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 452-77-7 3-fluoro-4-methyl-phenylamine 
• 75-44-5 phosgene 

Downstream Products

• 819057-62-0 N-[4-(3-amino-1,2-benzisoxazol-4-yl)phenyl]-N'-(3-fluoro-4-methylphenyl)urea 
• 139071-95-7 (S)-N-<3-(4-methyl-3-fluorophenyl)-2-oxo-5-oxazolidinyl>methyl bromide 
• 139071-97-9 (S)-<3-(4-carboxy-3-fluorophenyl)-2-oxo-5-oxazolidinyl>methyl bromide 
• 936367-73-6 (R)-3-(3-Fluoro-4-methyl-phenyl)-5-hydroxymethyl-oxazolidin-2-one 
• 139071-96-8 (S)-<3-(4-methyl-3-fluorophenyl)-2-oxo-5-oxazolidinyl>methyl bromide 

Relevant articles and documents

Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression

Aurora Kinase B is a serine-threonine kinase known to be overexpressed in several cancers, with no inhibitors approved for clinical use. Herein, we present the discovery and optimization of a series of novel quinazoline-based Aurora Kinase B inhibitors. The lead inhibitor SP-96 shows sub-nanomolar potency in Aurora B enzymatic assays (IC50 = 0.316 ± 0.031 nM). We identified the important pharmacophore features resulting in selectivity against receptor tyrosine kinases. Particularly, SP-96 shows >2000 fold selectivity against FLT3 and KIT which is important for normal hematopoiesis. This could diminish the adverse effect of neutropenia reported in the clinical trials of the Aurora B inhibitor Barasertib, which inhibits FLT3 and KIT in addition to Aurora B. Enzyme kinetics of SP-96 shows non-ATP-competitive inhibition which makes it a first-in-class inhibitor. Further, SP-96 shows selective growth inhibition in NCI60 screening, including inhibition of MDA-MD-468, a Triple Negative Breast Cancer cell line.

ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND

The invention relates to the substituted imidazoles of formula (I) and to methods for producing the same, to their use in the treatment and/or prophylaxis of diseases and to their use for producing drugs for use in the treatment and/or prophylaxis of diseases, especially for use as antiviral agents, especially against cytomegaloviruses.