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Tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is a chemical compound with the molecular formula C11H20FNO3. It is a derivative of piperidine, a heterocyclic organic compound, and contains a tert-butyl group and a fluoro and hydroxy functional group. tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is known for its potential to modify biological activity, with the tert-butyl group providing stability and protection to the molecule, while the fluoro and hydroxy groups can influence its interactions with biological systems.

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  • 1174020-42-8 Structure
  • Basic information

    1. Product Name: tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
    2. Synonyms: tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate;(3R,4S)-1-Boc-3-fluoro-4-hydroxypiperidine;(3R,4S)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;tert-Butyl(3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate>98%ee;(3R,4S)-3-Fluoro-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester;9942-2b-2;1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
    3. CAS NO:1174020-42-8
    4. Molecular Formula: C10H18FNO3
    5. Molecular Weight: 219
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1174020-42-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.8±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.15±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 13.65±0.40(Predicted)
    10. CAS DataBase Reference: tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-42-8)
    12. EPA Substance Registry System: tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate(1174020-42-8)
  • 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: 1174020-42-8(Hazardous Substances Data)

1174020-42-8 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is used as an intermediate in the synthesis of pharmaceuticals for its ability to modify biological activity. tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate's unique structure allows it to be a versatile building block in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is used as an intermediate in the synthesis of various agrochemicals, contributing to the development of effective and stable products for agricultural applications.
Used in Organic Compounds Synthesis:
Tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is utilized as an intermediate in the synthesis of other organic compounds, showcasing its versatility in chemical research and development.
Used in Chemical Research and Development:
tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate is employed in chemical research and development due to its diverse potential uses, including the exploration of new chemical reactions and the creation of novel molecules with specific properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1174020-42-8 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,7,4,0,2 and 0 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1174020-42:
(9*1)+(8*1)+(7*7)+(6*4)+(5*0)+(4*2)+(3*0)+(2*4)+(1*2)=108
108 % 10 = 8
So 1174020-42-8 is a valid CAS Registry Number.

1174020-42-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Boc-3R-fluoro-4S-piperidinol

1.2 Other means of identification

Product number -
Other names (3R,4S)-tert-butyl 3-fluoro-4-hydroxypiperidine-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:1174020-42-8 SDS

1174020-42-8Relevant articles and documents

Efforts towards a Noyori reduction of a 3-fluorpiperidin-4-one with dynamic kinetic resolution

LePaih, Jacques,Goff, Dane A.,Singh, Rajinder,Shaw, Simon J.

, (2021/01/25)

A Noyori reduction of racemic 1-Boc-3-fluoropiperidin-4-one has been achieved under dynamic kinetic resolution conditions that results in a single cis enantiomer being obtained with both diastereo- and enantioselectivity > 90%. This medicinal chemistry building block can be generated on multi-gram scale using the developed conditions to a single enantiomer in a 60% yield after employing a crystallisation procedure.

Enantioselective synthesis of cis -3-fluoropiperidin-4-ol, a Building block for medicinal chemistry

Shaw, Simon J.,Goff, Dane A.,Boralsky, Luke A.,Irving, Mark,Singh, Rajinder

, p. 8892 - 8897 (2013/09/24)

The first enantioselective route to both enantiomers of cis-1-Boc-3-fluoropiperidin-4-ol, a highly prized building block for medicinal chemistry, is reported. An enantioselective fluorination is employed, taking advantage of the methodology reported by MacMillan, which uses a modified cinchona alkaloid catalyst. In studying the fluorination reaction, we have shown that the catalyst can be replaced by commercially available primary amines, including α-methylbenzylamine, with similar levels of enantioselectivity. The piperidinols are readily crystallized to obtain enantiopure material.

GPR 119 MODULATORS

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Page/Page column 26, (2013/03/26)

Compounds that modulate the activity of the G-protein-coupled receptor GPR119 and their uses in the treatment of diseases linked to the modulation of the G-protein- coupled receptor GPR119 in animals are described herein.

4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS

-

, (2012/06/15)

Compounds that modulate the activity of the G-protein-coupled receptor GPR119 and their uses in the treatment of diseases linked to the modulation of the G-protein- coupled receptor GPR119 in animals are described herein.

IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS

-

, (2011/06/19)

Compounds of formula (I) wherein: X is (A) or (B); Y is O or a bond; R1 is -C(O)-O-R3 or R2 is hydrogen, cyano, C1-C6 alkyl, or C3-C6 cycloalkyl; R5 is hydrogen, cyano

GPR 119 MODULATORS

-

Page/Page column 39, (2011/04/24)

Compounds of formula (I) that modulate the activity of the G-protein-coupled receptor GPR119 and their uses in the treatment of diseases linked to the modulation of the G-protein-coupled receptor GPR119 in animals are described herein.

GPR 119 MODULATORS

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Page/Page column 67-68, (2010/11/18)

Compounds of Formula (I) that modulate the activity of the G -protein-coupled receptor GPFM 19 and their uses in the treatment of diseases linked to the modulation of the G-protein-coupled receptor GPR119 in animals are described herein.

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