129822-38-4

Basic information

• Product Name: (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;CarbaMic acid, (3-fluoro-2-Methylphenyl)-, 1,1-diMethylethyl ester;tert-Butyl (3-fluoro-2-Methylphenyl)carbaMate
• CAS NO: 129822-38-4
• Molecular Formula: C₁₂H₁₆FNO₂
• Molecular Weight: 225.2593432
• Mol File: 129822-38-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 246°C at 760 mmHg
• Flash Point: 102.6°C
• Appearance: /
• Density: 1.132g/cm³
• Vapor Pressure: 0.0279mmHg at 25°C
• Refractive Index: 1.524
• PKA: 13.08±0.70(Predicted)
• CAS DataBase Reference: (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(129822-38-4)
• EPA Substance Registry System: (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER(129822-38-4)

Safety Data

• Hazardous Substances Data: 129822-38-4(Hazardous Substances Data)

Usage

General Description

(3-Fluoro-2-methyl-phenyl)-carbamic acid tert-butyl ester is a chemical compound with the molecular formula C11H14FNO2. It is a carbamic acid derivative with a tert-butyl ester functional group, and it contains a fluorine atom and a methyl group attached to a phenyl ring. It is commonly used in the synthesis of pharmaceuticals and agrochemicals. (3-FLUORO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is known for its potential as a pesticide and insecticide and is used in the production of various organic compounds. Additionally, it is also utilized in the research and development of new chemical substances and materials.

InChI:InChI=1/C12H16FNO2/c1-8-9(13)6-5-7-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 443-86-7 3-fluoro-2-methylaniline 

Downstream Products

• 138343-92-7 (2-tert-Butoxycarbonylamino-6-fluoro-phenyl)-acetic acid 
• 138343-94-9 4-fluoro-1,3-dihydro-2H-indol-2-one 
• 129822-45-3 tert-butyl 4-fluoro-1H-indole-1-carboxylate 
• 1260383-51-4 4-fluoro-2-methyl-1H-indole 
• 1383976-61-1 tert-butyl [3-fluoro-2-(2-oxopropyl)phenyl]carbamate 

Relevant articles and documents

NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS

The present invention relates to novel chemical compounds derived from pyrimidines, to the method for preparing same, to the novel intermediates obtained, to the use thereof as drugs, to the pharmaceutical compositions containing same, and to the therapeutic use thereof as AKT inhibitors.

Preparation of indoles and oxindoles from N-(tert-butoxycarbonyl)-2-alkylanilines

Treatment of dilithiated N-(tert-butoxycarbonyl)anilines 1 with dimethylformamide or carbon dioxide furnishes intermediates 3, 5, that are easily converted to N-(tert-butoxycarbonyl)indoles 4 and oxindoles (indol-2(3H)-ones, 7), respectively. Condensation of dilithiated 1 with N-methoxy-N-methylamides provides ketones 9 which are cyclized upon trifluoroacetic acid treatment to either 2-substituted 1-(tert-butoxycarbonyl)indoles 10 or 2-substituted indoles 11 depending on the reaction time. This general methodology has been applied to efficient synthesis of 1,2-alkyl-bridged indoles 12, 1,3,4,5-tetrahydrobenz[c,d]indole (16), 2a,3,4,5-tetrahydrobenz[c,d]indol-2(1H)-one (18), and 1-(tert-butoxycarbonyl)1H-pyrrolo[2,3-b]pyridine (21).