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1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE is a chemical compound with the molecular formula C19H23FN2O2. It is a piperidine derivative that is commonly used as an intermediate in the synthesis of various pharmaceuticals and organic compounds. 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE contains a BOC (tert-butoxycarbonyl) protecting group, a cyano group, and a fluorophenyl group, which contribute to its reactivity and biological activity. 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE is often used in organic chemistry research and drug development due to its versatile nature and potential applications in the pharmaceutical industry.

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  • 726198-18-1 Structure
  • Basic information

    1. Product Name: 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE
    2. Synonyms: 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE;tert-Butyl 4-cyano-4-(2-fluorophenyl)piperidine-1-carboxylate
    3. CAS NO:726198-18-1
    4. Molecular Formula: C17H21FN2O2
    5. Molecular Weight: 304.363
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 726198-18-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE(726198-18-1)
    11. EPA Substance Registry System: 1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE(726198-18-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 726198-18-1(Hazardous Substances Data)

726198-18-1 Usage

Uses

Used in Pharmaceutical Industry:
1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE is used as an intermediate in the synthesis of various pharmaceuticals for its reactivity and biological activity.
Used in Organic Chemistry Research:
1-BOC-4-CYANO-4-(2-FLUOROPHENYL)-PIPERIDINE is used as a versatile compound in organic chemistry research for its potential applications in the development of new organic compounds and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 726198-18-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,2,6,1,9 and 8 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 726198-18:
(8*7)+(7*2)+(6*6)+(5*1)+(4*9)+(3*8)+(2*1)+(1*8)=181
181 % 10 = 1
So 726198-18-1 is a valid CAS Registry Number.

726198-18-1SDS

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 tert-butyl 4-cyano-4-(2-fluorophenyl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:726198-18-1 SDS

726198-18-1Relevant articles and documents

Discovery of a selective allosteric M1 receptor modulator with suitable development properties based on a quinolizidinone carboxylic acid scaffold

Kuduk, Scott D.,Chang, Ronald K.,Di Marco, Christina N.,Pitts, Daniel R.,Greshock, Thomas J.,Ma, Lei,Wittmann, Marion,Seager, Matthew A.,Koeplinger, Kenneth A.,Thompson, Charles D.,Hartman, George D.,Bilodeau, Mark T.,Ray, William J.

experimental part, p. 4773 - 4780 (2011/09/20)

One approach to ameliorate the cognitive decline in Alzheimer's disease (AD) has been to restore neuronal signaling from the basal forebrain cholinergic system via the activation of the M1 muscarinic receptor. A number of nonselective M1 muscarinic agonists have previously shown positive effects on cognitive behaviors in AD patients, but were limited due to cholinergic adverse events thought to be mediated by the activation of the M2 to M5 subtypes. One strategy to confer selectivity for M1 is the identification of positive allosteric modulators, which would target an allosteric site on the M1 receptor rather than the highly conserved orthosteric acetylcholine binding site. Quinoline carboxylic acids have been previously identified as highly selective M1 positive allosteric modulators with good pharmacokinetic and in vivo properties. Herein is described the optimization of a novel quinolizidinone carboxylic acid scaffold with 4-cyanopiperidines being a key discovery in terms of enhanced activity. In particular, modulator 4i gave high plasma free fractions, enhanced central nervous system (CNS) exposure, was efficacious in a rodent in vivo model of cognition, and afforded good physicochemical properties suitable for further preclinical evaluation.

A convenient synthesis of 1′-H-spiro-(indoline-3,4′-piperidine) and its derivatives

Xie, Jian-Shu,Huang, Charles Q.,Fang, Yan-Yan,Zhu, Yun-Fei

, p. 4875 - 4878 (2007/10/03)

A simple synthetic route has been developed to prepare 1′-H- spiro(indoline-3,4′-piperidine) (1d). Dialkylation of 2- fluorophenylacetonitrile with N-(tert-butyloxycarbonyl)-bis(2-chloroethyl)amine (5) gave 6. Deprotection of Boc followed by cyclization resulted 1d in 67% overall yield. Selective Boc or Cbz protection of 1′-N gave 1a or 1b with 90 and 85% yield, respectively. Thus, in a five-step procedure, 1a and 1b were synthesized from commercially available reagents in over 50% overall yield. All 3 compounds (1a, 1b and 1d) can be utilized as templates to synthesize compounds for GPCR targets.

Design and synthesis of novel α(1a) adrenoceptor-selective antagonists. 2. Approaches to eliminate opioid agonist metabolites via modification of linker and 4-methoxycarbonyl-4-phenylpiperidine moiety

Dhar, T. G. Murali,Nagarathnam, Dhanapalan,Marzabadi, Mohammad R.,Lagu, Bharat,Wong, Wai C.,Chiu, George,Tyagarajan, Sriram,Miao, Shou Wu,Zhang, Fengqi,Sun, Wanying,Tian, Dake,Shen, Quanrong,Zhang, Jack,Wetzel, John M.,Forray, Carlos,Chang, Raymond S. L.,Broten, Theodore P.,Schorn, Terry W.,Chen, Tsing Bao,O'Malley, Stacy,Ransom, Richard,Schneck, Kathryn,Bendesky, Robert,Harrell, Charles M.,Vyas, Kamlesh P.,Zhang, Kanyin,Gilbert, John,Pettibone, Douglas J.,Patane, Michael A.,Bock, Mark G.,Freidinger, Roger M.,Gluchowski, Charles

, p. 4778 - 4793 (2007/10/03)

We have previously described compound 1a as a high-affinity subtype selective α(1a) antagonist. In vitro and in vivo evaluation of compound 1a showed its major metabolite to be a μ-opioid agonist, 4-methoxycarbonyl-4- phenylpiperidine (3). Several dihydropyrimidinone analogues were synthesized with the goal of either minimizing the formation of 3 by modification of the linker or finding alternative piperidine moieties which when cleaved as a consequence of metabolism would not give rise to μ-opioid activity. Modification of the linker gave several compounds with good {1a) binding affinity (K(i) = 300 fold over α(1b) and α(1d)). In vitro analysis in the microsomal assay revealed these modifications did not significantly affect N-dealkylation and the formation of the piperidine 3. The second approach, however, yielded several piperidine replacements for 3, which did not show significant μ-opioid activity. Several of these compounds maintained good affinity at the α(1a) adrenoceptor and selectivity over α(1b) and α(1d). For example, the piperidine fragments of (+)-73 and (+)-83, viz. 4-cyano-4-phenylpiperidine and 4-methyl-4-phenylpiperidine, were essentially inactive at the μ-opioid receptor (IC50 > 30 μM vs 3 μM for 3). Compounds (+)-73 and (+)-83 were subjected to detailed in vitro and in vivo characterization. Both these compounds, in addition to their excellent selectivity (> 880-fold) over α(1b) and α(1d), also showed good selectivity over several other recombinant human G-protein coupled receptors. Compounds (+)-73 and (+)-83 showed good functional potency in isolated human prostate tissues, with K(b)s comparable to their in vitro α(1a) binding data. In addition, compound (+)-73 also exhibited good uroselectivity (DBP K(b)/IUP K(b) > 20-fold) in the in vivo experiments in dogs, similar to 1a.

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