870281-84-8

Basic information

• Product Name: (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester
• Synonyms: (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester;(S)-tert-butyl (1-(2-fluoro-6-nitro-N-phenylbenzaMido)-1-oxobutan-2-yl)carbaMate;[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester;Carbamic acid, [(1S)-1-[[(2-fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]-, 1, 1-dimethylethyl ester;(S)-[1-(2-fluoro-6-nitro-benzoy)phenylaminocarbonyl]propyl carbamic acid tert-butyl ester;2-Methyl-2-propanyl {(2S)-1-[(2-fluoro-6-nitrobenzoyl)(phenyl)amino]-1-oxo-2-butanyl}carbamate;[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethyleth;Intermediate of cal101
• CAS NO: 870281-84-8
• Molecular Formula: C₂₂H₂₄FN₃O₆
• Molecular Weight: 446.4488032
• EINECS: 944-242-3
• Mol File: 870281-84-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 606.8±55.0 °C(Predicted)
• Appearance: /
• Density: 1.291±0.06 g/cm3(Predicted)
• PKA: 10.86±0.46(Predicted)
• CAS DataBase Reference: (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester(870281-84-8)
• EPA Substance Registry System: (S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aMinocarbonyl]-propyl)-carbaMic acid tert-butyl ester(870281-84-8)

Safety Data

• Hazardous Substances Data: 870281-84-8(Hazardous Substances Data)

Usage

Description

(S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aminocarbonyl]-propyl)-carbamic acid tert-butyl ester is a complex organic compound that serves as a crucial intermediate in the synthesis of pharmaceuticals. This chiral molecule, characterized by its specific (S)-configuration, features a unique structure that includes a 2-fluoro-6-nitro-benzoyl group attached to a phenyl-aminocarbonyl moiety, which is then linked to a propyl carbamic acid tert-butyl ester. Its intricate design plays a pivotal role in the development of targeted therapeutic agents.

Uses

Used in Pharmaceutical Industry:
(S)-([1-(2-fluoro-6-nitro-benzoyl)-phenyl-aminocarbonyl]-propyl)-carbamic acid tert-butyl ester is used as a key intermediate in the synthesis of anti-tumor agents, specifically for the preparation of Idelalisib. This targeted cancer therapy is designed to treat specific malignancies by inhibiting key signaling pathways that promote the growth and survival of cancer cells. The ester's role in the production of Idelalisib highlights its importance in advancing cancer treatment options and improving patient outcomes.

Upstream product

• 34306-42-8 Boc-Abu 
• 870281-83-7 2-fluoro-6-nitro-N-phenyl-benzamide 
• 62-53-3 aniline 
• 45121-22-0 Boc-D-Abu 
• 385-02-4 6-fluoro-2-nitrobenzoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 50424-88-9 2-fluoro-6-nitrobenzoyl chloride 
• 7304-32-7 2-fluoro-5-nitrobenzoic acid 

Downstream Products

• 870281-86-0 (S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one 
• 870281-82-6 5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-3,4-dihydroquinazolin-4-one 
• 870281-85-9 (S)-(1-(5-fluoro-4-carbonyl-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamic acid tert-butyl ester 

Relevant articles and documents

A Novel Method of Preparing (S)-5-Fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)propyl]-3H-quinazolin-4-one

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A preparation method of generation of ralli department intermediates (by machine translation)

The invention discloses a method for the preparation of generation of ralli department, aniline, N - Boc - L - 2 - aminobutyric acid, DCC, triethylamine, 2 - fluoro - 5 - nitrophenyl chloride as the raw material, through the condensation reaction, the ami

Method for synthesizing [...]

The invention relates to the technical field of anti cancer drug idelalisib, and especially relates to an idelalisib synthetic method which is as follows: taking 2-fluoro-6 nitro benzoic acid as a raw material for reacting with phenylamine to produce a compound III under the catalytic effect of a condensing agent; using N-boc-L-2-amino butyric acid as a raw material for reacting with the compound III to produce a compound V under the catalytic effect of a condensing agent; reducing the compound V by a metal or a metal compound and an acidic solution for cyclization to obtain a compound VI; removing the BOC group by protection group removal to obtain a compound VII; taking the compound VII and 6-bromo purine for nucleophilic reaction to obtain idelalisib. According to the method, a intermediate link of acyl chloride production is not needed, the operation process is simplified, time and labor cost are saved, the after-treatment is simple, the reaction yield is improved, cost is reduced, and the method has the advantages of being mild in reaction condition, high in yield, green and environmentally friendly, and meets the requirements of industrial production.