1012341-54-6

Basic information

• Product Name: (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid
• Synonyms: (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid;LCZ 696 Impurity F;Sacubitril Impurity 1;LCZ704;(2S,4R)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic acid;LCZ-696 Impurity 18;LCZ-696 Impurity 35;(αS,γR)-γ-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-methyl-[1,1-biphenyl]-4-pentanoic Acid
• CAS NO: 1012341-54-6
• Molecular Formula: C23H29NO4
• Molecular Weight: 383.48066
• Product Categories: LCZ696
• Mol File: 1012341-54-6.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 582.6±50.0 °C(Predicted)
• Appearance: /
• Density: 1.115±0.06 g/cm3(Predicted)
• PKA: 4?+-.0.23(Predicted)
• CAS DataBase Reference: (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid(1012341-54-6)
• EPA Substance Registry System: (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid(1012341-54-6)

Safety Data

• Hazardous Substances Data: 1012341-54-6(Hazardous Substances Data)

Usage

Description

(2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid is a complex organic compound characterized by its unique molecular structure. It features a biphenyl group attached to a pentanoic acid backbone, with a tert-butoxycarbonyl amino group and a methyl group at specific stereocenters. (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid is known for its potential applications in various industries due to its chemical properties.

Uses

Used in Pharmaceutical Industry:
(2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid is used as a synthetic intermediate for the development of new pharmaceutical compounds. Its unique structure allows for the creation of novel drugs with potential therapeutic applications.
Used in Chemical Synthesis:
In the field of chemical synthesis, (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid serves as a valuable building block for the creation of more complex molecules. Its versatility in reacting with other compounds makes it a useful component in the synthesis of various chemical products.
Used in Material Science:
(2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid can be utilized in the development of new materials with specific properties. Its incorporation into polymers or other materials may lead to enhanced characteristics such as improved strength, durability, or chemical resistance.
Used in Research and Development:
As a synthetic intermediate, (2S,4R)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid is also used in research and development settings. Scientists and researchers can explore its potential applications and interactions with other compounds to discover new uses and advancements in various fields.

Upstream product

• 149709-68-2 (R)-5-(biphenyl-4-yl)-4-tert-butoxycarbonylamino-2-methylpent-2-enoic acid 
• 1213855-60-7 methyl (R)-3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate 
• 149709-58-0 (R)-α-<<(1,1-dimethylethoxy)carbonyl>amino><1,1'-biphenyl>-4-propanal 
• 149709-59-1 ethyl 5-(4-<1,1'-biphenyl>yl)-4-<<(1,1-dimethylethoxy)carbonyl>amino>-2-methyl-2-pentenoate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 1394050-22-6 [(R)-1-(biphenyl-4-yl)-methyl-2-(2,2,5-trimethyl-4,6-dioxo-[1,3]dioxan-5-yl)-ethyl]-carbamic acid t-butyl ester 
• 1383026-42-3 [(S)-2-biphenyl-4-yl-1-(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylmethyl)ethyl]carbamic acid t-butyl ester 
• 1383026-37-6 [(R)-1-biphenyl-4-ylmethyl-2-(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-yl)-2-oxoethyl]carbamic acid t-butyl ester 
• 128779-47-5 (2R)-3-(biphenyl-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid 
• 108-91-8 cyclohexylamine 
• 1174130-80-3 (R)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylenepentanoic acid 
• 1426129-50-1 N-[(1R)-2-[1,1'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]carbamic acid tert-butyl ester 
• 149818-98-4 methyl (R)-α-<<(1,1-dimethylethoxy)carbonyl>amino><1,1'-biphenyl>-4-propanoate 

Downstream Products

• 1038924-71-8 (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoic acid hydrochloride 
• 149709-60-4 ethyl (2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoate 
• 1174130-83-6 (2R,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid triethylammonium salt 
• 1174131-27-1 (2R,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid methyl ester 
• 1174131-28-2 (2S,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid methyl ester 
• 1174130-82-5 (2R,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid diisopropylethylammonium salt 
• 149709-61-5 (2S,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid ethyl ester 
• 1174130-84-7 (2R,4S)-5-biphenyl-4-yl-4-tert-butoxycarbonylamino-2-methylpentanoic acid sodium salt 
• 752174-62-2 (2R,4S)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester 
• 149690-05-1 α-ethyl (αR,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate monosodium salt 
• 149709-63-7 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid 
• 1257265-45-4 1-((1S,3R)-1-biphenyl-4-ylmethyl-3-carboxybutylcarbamoyl)-1H-pyrazole-3-carboxylic acid 
• 1257265-46-5 1-((1S,3R)-3-benzyloxycarbonyl-1-biphenyl-4-ylmethylbutylcarbamoyl)-1H-pyrazole-3-carboxylic acid 
• 1257266-14-0 (2R,4S)-5-biphenyl-4-yl-4-isocyanato-2-methylpentanoic acid benzyl ester 

Relevant articles and documents

Method for preparing chiral biaryl substituted 4-amino-butyric acid and derivative thereof

The invention discloses a method for preparing chiral biaryl substituted 4-amino-butyric acid and a derivative thereof. The method belongs to chiral catalytic hydrogenation reaction, and has the advantages of high conversion rate, good selectivity, simplicity in operation, low catalyst dosage, low production cost, suitability for industrial large-scale production and the like.

Preparation method of sacubitril valsartan sodium

The invention provides a preparation method of sacubitril valsartan sodium, and belongs to the field of medical chemistry. The preparation method comprises the following steps: by using a compound S309A03 as a raw material, carrying out hydrogenation reaction to generate a compound BPA08, reacting the compound BPA08 in ethanol to generate a compound SAC01, reacting the compound SAC01 with succinicanhydride to generate a compound SAC02, optionally reacting the compound SAC02 with sodium hydroxide, and reacting the compound SAC03 with calcium chloride to generate a compound SAC04; and subjecting the compound SAC04 to acid treatment to obtain a compound YJX01, and enabling the compound YJX01 to react with VST in a single solvent in the presence of sodium hydroxide to prepare the compound YJX02. The preparation method disclosed by the invention is simple to operate, the time required by the process is reduced, the total yield of the process route is greatly improved, an unexpected technical effect is obtained, impurities in the process are removed, and a product with higher purity is obtained. The method has mild process conditions and easily available raw materials, and is suitable for industrial amplification.

Optimization and process improvement for LCZ696 by employing quality by design (QbD) principles

Efforts toward optimization and improvement for the synthesis of LCZ696 employing design of experiment (DoE) principles are described. By increasing the purity of intermediates and mitigating impurity risk during each step, a telescoped process was developed via removal of isolation of intermediates with the overall yield increased by 28.5% from 45.3% to 73.8%. And the whole production cycle was also shortened from 12 days to 7 days with simplified operations and restored process greenness. Meanwhile, the corresponding impurity profile was thus studied in detail and well documented.