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  • 116574-71-1 Structure
  • Basic information

    1. Product Name: N-Boc-piperidine-3-methanol
    2. Synonyms: (+/-)-BOC-3-PIPERIDINE METHANOL;N-(TERT-BUTOXYCARBONYL)-3-PIPERIDINEMETHANOL;N-BOC-(3S)-PIP(3-CH2OH);N-BOC-3-HYDROXYMETHYLPIPERIDINE;(+/-)-N-BOC-3-PIPERIDINE METHANOL;N-BOC-3-PIPERIDINYL-METHANOL;N-Boc-piperidine-3-methanol;TERT-BUTYL 3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
    3. CAS NO:116574-71-1
    4. Molecular Formula: C11H21NO3
    5. Molecular Weight: 215.29
    6. EINECS: 1308068-626-2
    7. Product Categories: pharmacetical;Piperidine;Heterocyclic Compounds;Building Blocks;C11;Chemical Synthesis;Heterocyclic Building Blocks;Piperidines
    8. Mol File: 116574-71-1.mol
    9. Article Data: 63
  • Chemical Properties

    1. Melting Point: 77-81°C
    2. Boiling Point: 308 ºC at 760 mmHg
    3. Flash Point: 140.1 ºC
    4. Appearance: Off-white solid
    5. Density: 1.059 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.479
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: Soluble in methanol and dimethylformamide(DMF).
    10. PKA: 14.93±0.10(Predicted)
    11. CAS DataBase Reference: N-Boc-piperidine-3-methanol(CAS DataBase Reference)
    12. NIST Chemistry Reference: N-Boc-piperidine-3-methanol(116574-71-1)
    13. EPA Substance Registry System: N-Boc-piperidine-3-methanol(116574-71-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 116574-71-1(Hazardous Substances Data)

116574-71-1 Usage

Description

N-Boc-piperidine-3-methanol, also known as (+/-)-1-Boc-3-(hydroxymethyl)piperidine, is a white solid with significant applications in the pharmaceutical industry. It is a versatile chemical intermediate used in the synthesis of various biologically active compounds.

Uses

Used in Pharmaceutical Industry:
N-Boc-piperidine-3-methanol is used as a reactant for the synthesis of several pharmaceutical compounds, including:
1. Pim-1 inhibitors: These are used to target and inhibit the Pim-1 protein, which is involved in cell survival and proliferation, and is often overexpressed in various cancers.
2. Vasopressin1b receptor antagonists: These compounds are used to block the vasopressin1b receptor, which can help in the treatment of conditions like heart failure and hyponatremia.
3. CXCR4 antagonists as anti-HIV agents: These antagonists target the CXCR4 receptor, which is used by HIV to enter human cells, thus potentially providing a therapeutic approach to combat the virus.
4. Amide CCR5 antagonist: N-Boc-piperidine-3-methanol targets the CCR5 receptor, which is another co-receptor used by HIV for cell entry, and can be used in the development of anti-HIV drugs.
5. PSSRI-based inhibitors of S. aureus multidrug efflux pumps: These inhibitors target multidrug efflux pumps in Staphylococcus aureus, which are responsible for antibiotic resistance, potentially leading to more effective treatments for bacterial infections.
6. Human GnRH receptor antagonists: These antagonists block the GnRH receptor, which can be used in the treatment of conditions like endometriosis, prostate cancer, and certain reproductive disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 116574-71-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,5,7 and 4 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 116574-71:
(8*1)+(7*1)+(6*6)+(5*5)+(4*7)+(3*4)+(2*7)+(1*1)=131
131 % 10 = 1
So 116574-71-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3

116574-71-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H52784)  (±)-1-Boc-3-(hydroxymethyl)piperidine, 97%   

  • 116574-71-1

  • 5g

  • 1124.0CNY

  • Detail
  • Alfa Aesar

  • (H52784)  (±)-1-Boc-3-(hydroxymethyl)piperidine, 97%   

  • 116574-71-1

  • 25g

  • 4492.0CNY

  • Detail
  • Aldrich

  • (681318)  N-Boc-piperidine-3-methanol  97%

  • 116574-71-1

  • 681318-1G

  • 774.54CNY

  • Detail
  • Aldrich

  • (681318)  N-Boc-piperidine-3-methanol  97%

  • 116574-71-1

  • 681318-10G

  • 3,872.70CNY

  • Detail

116574-71-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name N-Boc-piperidine-3-methanol

1.2 Other means of identification

Product number -
Other names tert-Butyl 3-(hydroxymethyl)piperidine-1-carboxylate

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:116574-71-1 SDS

116574-71-1Relevant articles and documents

Synthesis of substituted 1H-imidazol-1-ylmethylpiperidines. Facile separation of 1,4- and 1,5-disubstituted imidazoles

Rivera, Jocelyn,Jayasuriya, Nilukshi,Rane, Dinanath,Keertikar,Ferreira, J.Albert,Chao, Jianping,Minor, Keith,Guzi, Timothy

, p. 8917 - 8919 (2002)

The synthesis of several 1H-imidazol-1-ylmethylpiperidines is described. A method for the regioselective isolation of 1,4-disubstituted imidazoles utilizing the selective quaternization of the 1,5-disubstituted regioisomer was developed.

Design and evaluation of novel piperidine HIV-1 protease inhibitors with potency against DRV-resistant variants

Zhu, Mei,Zhou, Huiyu,Ma, Ling,Dong, Biao,Zhou, Jinming,Zhang, Guoning,Wang, Minghua,Wang, Juxian,Cen, Shan,Wang, Yucheng

, (2021)

A novel class of HIV-1 protease inhibitors with flexible piperidine as the P2 ligand was designed with the aim of improving extensive interactions with the active subsites. Many inhibitors exhibited good to excellent inhibitory effect on enzymatic activity and viral infectivity. In particular, inhibitor 3a with (R)-piperidine-3-carboxamide as the P2 ligand and 4-methoxybenzenesulfonamide as the P2’ ligand showed an enzyme Ki value of 29 pM and antiviral IC50 value of 0.13 nM, more than six-fold enhancement of activity compared to DRV. Furthermore, there was no significant change in potency against DRV-resistant mutations and HIV-1NL4?3 variant for 3a. Besides, inhibitor 3a exhibited potent antiviral activity against subtype C variants with low nanomole EC50 values. In addition, the molecular modeling revealed important hydrogen bonds and other favorable van der Waals interactions with the backbone atoms of the protease and provided insight for designing and optimizing more potent HIV-1 protease inhibitors.

NOVEL HISTONE METHYLTRANSFERASE INHIBITORS

-

Page/Page column 30; 34, (2021/04/01)

The present invention relates to novel compounds of formula (I) as defined herein. The compounds are inhibitors of histone methyltransferases of the seven-beta-strand family, in particular of KMT9.

Palladium-catalyzed ring-closing reaction via C-N bond metathesis for rapid construction of saturated N-heterocycles

Yu, Bangkui,Zou, Suchen,Liu, Hongchi,Huang, Hanmin

supporting information, p. 18341 - 18345 (2020/11/17)

The ring-closing reactions based on chemical bond metathesis enable the efficient construction of a wide variety of cyclic systems which receive broad interest from medicinal and organic communities. However, the analogous reaction with C-N bond metathesis as a strategic fundamental step remains an unanswered challenge. Herein, we report the design of a new fundamental metallic C-N bond metathesis reaction that enables the palladium-catalyzed ring-closing reaction of aminodienes with aminals. The reactions proceed efficiently under mild conditions and exhibit broad substrate generality and functional group compatibility, leading to a wide variety of 5- to 16-membered N-heterocycles bearing diverse frameworks and functional groups.

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