220394-91-2

Basic information

• Product Name: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
• Synonyms: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;BUTTPARK 75\50-49;Benzyl 4-isocyanatopiperidine-1-carboxylate;4-Isocyanatopiperidine, N-CBZ protected;1-Cbz-4-isocyanatopiperidine
• CAS NO: 220394-91-2
• Molecular Formula: C₁₄H₁₆N₂O₃
• Molecular Weight: 260.29
• Product Categories: Isocyanates;Pyrans, Piperidines &Piperazines;Pyrans, Piperidines & Piperazines
• Mol File: 220394-91-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 185 °C
• Flash Point: 189.7 °C
• Appearance: /
• Density: 1.19 g/cm³
• Vapor Pressure: 2.73E-06mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE(220394-91-2)
• EPA Substance Registry System: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE(220394-91-2)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2206
• Hazardous Substances Data: 220394-91-2(Hazardous Substances Data)

Usage

General Description

Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate is a complex organic chemical compound used in various industrial processes. It falls under the class of organic compounds known as phenylpropanoic acids, characterized by an aromatic benzyl group and an isocyanate group. This chemical component is used predominantly in the field of polymer chemistry, especially in the synthesis of polyurethane. Its molecular structure gives it unique properties that make it suitable for such applications. The exact properties of this chemical, such as its melting point, boiling point, and toxicity, remain largely obscure, potentially due to its highly specific applications.

InChI:InChI=1/C14H16N2O3/c17-11-15-13-6-8-16(9-7-13)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-10H2

Upstream product

• 10314-99-5 benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate 
• 501-53-1 benzyl chloroformate 
• 10314-98-4 1-benzyloxycarbonylpiperidine-4-carboxylic acid 

Downstream Products

• 1391917-29-5 C₂₀H₂₃N₃O₄ 
• 1391917-48-8 4-[4-((N-benzyloxycarbonyl)piperidinyl)ureidomethyl]phenyl sulfamate 
• 1370009-42-9 C₄₃H₅₀N₂O₆ 
• 1232885-73-2 ST₅₅₇₇ 
• 905846-51-7 C₅₄H₉₃N₅O₁₅ 
• 1229607-73-1 benzyl 4-(3-(4-((4-(3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)naphthalen-1-yl)oxy)pyridin-2-yl)ureido)piperidine-1-carboxylate 
• 871231-12-8 benzyl 4-{[(4-chlorothieno[2,3-d]pyrimidin-6-yl)carbonyl]amino}piperidine-1-carboxylate 
• 1173205-07-6 benzyl 4-({[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoyl}amino)piperidine-1-carboxylate 
• 1174766-20-1 benzyl 4-(([(4-(6-(3,6-dihydro-2H-pyran-4-yl)-9-piperidin-4-yl)-9H-purin-2-yl)phenyl]carbamoyl)amino)piperidine-1-carboxylate 
• 1161826-08-9 benzyloxycarbonyl piperidin-4-yl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide 
• 942600-08-0 benzyl 4-[({[4-cyano-2-(methoxy carbonyl)-5-methyl-1H-pyrrol-3-yl]amino}carbonyl)amino]piperidine-1-carboxylate 
• 220394-93-4 benzyl 4-(methoxycarbonylamino)piperidine-1-carboxylate 
• 159874-20-1 1-benzyloxycarbonyl-4-tert-butoxycarbonylaminopiperidine 
• 164518-98-3 benzyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate 

Relevant articles and documents

A Practical and General Amidation Method from Isocyanates Enabled by Flow Technology

The addition of carbon nucleophiles to isocyanates represents a conceptually flexible and efficient approach to the preparation of amides. This general synthetic strategy has, however, been relatively underutilized owing to narrow substrate tolerance and the requirement for less favourable reaction conditions. Herein, we disclose a high-yielding, mass-efficient, and scalable method with appreciable functional group tolerance for the formation of amides by reaction of Grignard reagents with isocyanates. Through the application of flow chemistry and the use of substoichiometric amounts of CuBr2, this process has been developed to encompass a broad range of substrates, including reactants found to be incompatible with previously published procedures.

Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 4: Synthesis and structure-activity relationships for 1-[N-(methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-(4-(N-(alkyl)-N- (benzyloxycarbonyl)amino)piperidin-1-yl)butanes

(2S)-2-(3-Chlorophenyl)-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-[spiro (2,3-dihydrobenzthiophene-3,4′-piperidin-1′-yl)]butane S-oxide (1b) has been identified as a potent CCR5 antagonist having an IC50 = 10 nM. Herein, structure-activity relationship studies of non-spiro piperidines are described, which led to the discovery of 4-(N-(alkyl)-N-(benzyloxycarbonyl)amino)piperidine derivatives (3-5) as potent CCR5 antagonists.