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BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE is a complex organic chemical compound that belongs to the class of phenylpropanoic acids. It is characterized by an aromatic benzyl group and an isocyanate group, which contribute to its unique properties. BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE is predominantly used in the field of polymer chemistry, particularly in the synthesis of polyurethane.

220394-91-2

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220394-91-2 Usage

Uses

Used in Polymer Chemistry:
BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE is used as a chemical component in the synthesis of polyurethane. Its molecular structure provides the necessary properties for this application, making it a valuable asset in the production of this versatile polymer.
Used in Industrial Processes:
BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE is utilized in various industrial processes, where its unique properties are harnessed to achieve specific outcomes. The exact nature of these processes and the reasons for its use may vary, but its presence is significant in the development and production of certain materials and products.

Check Digit Verification of cas no

The CAS Registry Mumber 220394-91-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,0,3,9 and 4 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 220394-91:
(8*2)+(7*2)+(6*0)+(5*3)+(4*9)+(3*4)+(2*9)+(1*1)=112
112 % 10 = 2
So 220394-91-2 is a valid CAS Registry Number.
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

220394-91-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 4-isocyanatopiperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 4-isocyanato-piperidine-1-carboxylic acid benzyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:220394-91-2 SDS

220394-91-2Relevant academic research and scientific papers

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

Williams, Jason D.,Kerr, William J.,Leach, Stuart G.,Lindsay, David M.

supporting information, p. 12126 - 12130 (2018/09/11)

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.

Cyclic amine compounds as CCR5 antagonists

-

, (2008/06/13)

A compound of formula (I) (wherein R1is a hydrogen atom, a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, R2is a hydrocarbon group which may be substituted, a non-aromatic heterocyclic group which may be substituted, or R1and R2may combine to each other together with A to form a heterocyclic group which may be substituted; A is N or N+—R5.Y?(R5is a hydrocarbon group; Y?is a counter anion); R3is a cyclic hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; n is 0 or 1; R4is a hydrogen atom, a hydrocarbon group which may be substituted, a heterocyclic group which may be substituted, an alkoxy group which may be substituted, an aryloxy group which may be substituted, or an amino group which may be substituted, E is a divalent aliphatic hydrocarbon group which may be substituted by group(s) other than oxo; G1is a bond, CO or SO2; G2is CO, SO2, NHCO, CONH or OCO; J is methine or a nitrogen atom; and each of Q and R is a bond or a divalent C1-3aliphatic hydrocarbon which may be substituted; provided that J is methine when G2is OCO, that one of Q and R is not a bond when the other is a bond and that each of Q and R is not substituted by oxo group(s) when G1is a bond) or a salt thereof has a potent CCR5 antagonistic activity and can be advantageously used for the treatment or prevention of infectious disease of various HIV in human (e.g. AIDS).

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

Finke, Paul E.,Oates, Bryan,Mills, Sander G.,MacCoss, Malcolm,Malkowitz, Lorraine,Springer, Martin S.,Gould, Sandra L.,DeMartino, Julie A.,Carella, Anthony,Carver, Gwen,Holmes, Karen,Danzeisen, Renee,Hazuda, Daria,Kessler, Joseph,Lineberger, Janet,Miller, Michael,Schleif, William A.,Emini, Emilio A.

, p. 2475 - 2479 (2007/10/03)

(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.

CYCLIC AMINE MODULATIONS OF CHEMOKINE RECEPTOR ACTIVITY

-

, (2008/06/13)

The present invention is directed to cyclic amines of the formula I: STR1 (wherein R 1, R 2, R 3, m and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-1, CCR-2, CCR-2A, CCR-2B, CCR-3, CCR-4, CCR-5, CXCR-3, and/or CXCR-4.

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