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[1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester is a chemical compound characterized by its molecular formula C13H17NO3F. It is an ester derived from carbaMic acid and tert-butyl alcohol, featuring a fluoro-phenyl group and a hydroxy-ethyl group. [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester is known for its utility in organic synthesis and holds potential in various applications across different industries.

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  • 1-(2-FLUORO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER

    Cas No: 847686-72-0

  • USD $ 1.9-2.9 / Gram

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  • 847686-72-0 Structure
  • Basic information

    1. Product Name: [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester
    2. Synonyms: [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester;tert-Butyl (1-(2-fluorophenyl)-2-hydroxyethyl)carbaMate
    3. CAS NO:847686-72-0
    4. Molecular Formula: C13H18FNO3
    5. Molecular Weight: 255.2853232
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 847686-72-0.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.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester(847686-72-0)
    11. EPA Substance Registry System: [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester(847686-72-0)
  • 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: 847686-72-0(Hazardous Substances Data)

847686-72-0 Usage

Uses

Used in Pharmaceutical Industry:
[1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester is used as a reagent or intermediate for the synthesis of various medications. Its unique structure allows it to serve as a building block for more complex organic molecules, which can be further developed into potential pharmaceuticals.
Used in Agrochemical Industry:
In the agrochemical sector, [1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester is utilized in the production of pesticides. Its chemical properties make it a valuable component in the development of effective and targeted pest control solutions.
Used in Research and Development:
[1-(2-Fluoro-phenyl)-2-hydroxy-ethyl]-carbaMic acid tert-butyl ester also holds potential applications in research and development, particularly in drug discovery. Its unique structure and reactivity can be exploited to create novel molecules with potential therapeutic or pesticidal properties, contributing to the advancement of scientific knowledge and innovation in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 847686-72-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,7,6,8 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 847686-72:
(8*8)+(7*4)+(6*7)+(5*6)+(4*8)+(3*6)+(2*7)+(1*2)=230
230 % 10 = 0
So 847686-72-0 is a valid CAS Registry Number.

847686-72-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl N-[1-(2-fluorophenyl)-2-hydroxyethyl]carbamate

1.2 Other means of identification

Product number -
Other names QC-8507

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:847686-72-0 SDS

847686-72-0Downstream Products

847686-72-0Relevant articles and documents

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, (2021/10/27)

Gonadotropin-releasing hormone receptor antagonists and uses thereofThe invention relates to the field of organic chemistry, in particular to a compound or a pharmaceutically acceptable salt thereof. Isomer, prodrug, polymorph or solvate as well as prepar

Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity

Skepper, Colin K.,Moreau, Robert J.,Appleton, Brent A.,Benton, Bret M.,Drumm, Joseph E.,Feng, Brian Y.,Geng, Mei,Hu, Cheng,Li, Cindy,Lingel, Andreas,Lu, Yipin,Mamo, Mulugeta,Mergo, Wosenu,Mostafavi, Mina,Rath, Christopher M.,Steffek, Micah,Takeoka, Kenneth T.,Uehara, Kyoko,Wang, Lisha,Wei, Jun-Rong,Xie, Lili,Xu, Wenjian,Zhang, Qiong,De Vicente, Javier

supporting information, p. 3325 - 3349 (2018/05/01)

In the preceding manuscript [Moreau et al. 2018, 10.1021/acs.jmedchem.7b01691] we described a successful fragment-based lead discovery (FBLD) strategy for discovery of bacterial phosphopantetheine adenylyltransferase inhibitors (PPAT, CoaD). Following several rounds of optimization two promising lead compounds were identified: triazolopyrimidinone 3 and 4-azabenzimidazole 4. Here we disclose our efforts to further optimize these two leads for on-target potency and Gram-negative cellular activity. Enabled by a robust X-ray crystallography system, our structure-based inhibitor design approach delivered compounds with biochemical potencies 4-5 orders of magnitude greater than their respective fragment starting points. Additional optimization was guided by observations on bacterial permeability and physicochemical properties, which ultimately led to the identification of PPAT inhibitors with cellular activity against wild-type E. coli.

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