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N-Boc-3-bromo-4-fluoroaniline is a chemical compound with the formula C13H15BrFN2O2. It is a substituted aniline derivative featuring a tert-butoxycarbonyl (Boc) protecting group on the amino group. N-Boc-3-bromo-4-fluoroaniline is characterized by the presence of a bromine atom and a fluorine atom attached to the benzene ring, classifying it as a halogenated aromatic compound. Its unique structure and reactivity render it a valuable intermediate in the synthesis of complex organic molecules, particularly in the pharmaceutical industry for the production of various drugs and drug intermediates. The Boc protecting group can be removed under mild conditions, adding to its versatility in organic chemistry.

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  • 836619-77-3 Structure
  • Basic information

    1. Product Name: N-Boc-3-bromo-4-fluoroaniline
    2. Synonyms: N-Boc-3-bromo-4-fluoroaniline;(3-Bromo-4-fluoro-phenyl)-carbamic acid tert-butyl ester
    3. CAS NO:836619-77-3
    4. Molecular Formula: C11H13BrFNO2
    5. Molecular Weight: 290
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 836619-77-3.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.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: N-Boc-3-bromo-4-fluoroaniline(CAS DataBase Reference)
    10. NIST Chemistry Reference: N-Boc-3-bromo-4-fluoroaniline(836619-77-3)
    11. EPA Substance Registry System: N-Boc-3-bromo-4-fluoroaniline(836619-77-3)
  • 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: 836619-77-3(Hazardous Substances Data)

836619-77-3 Usage

Uses

Used in Pharmaceutical Industry:
N-Boc-3-bromo-4-fluoroaniline is used as a building block in organic synthesis for the development of various drugs and drug intermediates. Its halogenated aromatic structure and Boc protecting group contribute to the creation of complex organic molecules, enhancing the compound's utility in medicinal chemistry.
Used in Organic Synthesis:
In the field of organic synthesis, N-Boc-3-bromo-4-fluoroaniline serves as a versatile intermediate. Its reactivity and the ability to remove the Boc protecting group under mild conditions make it an essential component in the synthesis of a wide range of organic compounds, including those with potential applications in various industries beyond pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 836619-77-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,3,6,6,1 and 9 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 836619-77:
(8*8)+(7*3)+(6*6)+(5*6)+(4*1)+(3*9)+(2*7)+(1*7)=203
203 % 10 = 3
So 836619-77-3 is a valid CAS Registry Number.

836619-77-3SDS

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 N-Boc-3-bromo-4-fluoroaniline

1.2 Other means of identification

Product number -
Other names tert-butyl N-(3-bromo-4-fluorophenyl)carbamate

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:836619-77-3 SDS

836619-77-3Relevant articles and documents

Mild deprotection of the: N-tert -butyloxycarbonyl (N -Boc) group using oxalyl chloride

Awuah, Samuel G.,George, Nathaniel,Ofori, Samuel,Parkin, Sean

, p. 24017 - 24026 (2020/07/23)

We report a mild method for the selective deprotection of the N-Boc group from a structurally diverse set of compounds, encompassing aliphatic, aromatic, and heterocyclic substrates by using oxalyl chloride in methanol. The reactions take place under room temperature conditions for 1-4 h with yields up to 90percent. This mild procedure was applied to a hybrid, medicinally active compound FC1, which is a novel dual inhibitor of IDO1 and DNA Pol gamma. A broader mechanism involving the electrophilic character of oxalyl chloride is postulated for this deprotection strategy. This journal is

PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS

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Page/Page column 434, (2014/09/29)

Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa)

PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES

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Page/Page column 68, (2012/06/01)

The present invention provides a compound of formula (I): and pharmaceutically acceptable salts, enantiomers, stereoisomers, rotamers, tautomers, diastereomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by CDK9 using the compounds of Formula I, and pharmaceutical compositions comprising such compounds

HETEROARYL COMPOUNDS AS KINASE INHIBITORS

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Page/Page column 50-51, (2011/04/14)

The present invention provides a compound of Formula (I): and pharmaceutically acceptable salts thereof. Also provided is a method of using a compound of Formula I for treating a disease or condition mediated by a CDK inhibitor

QUINOLONE DERIVATIVE OR SALT THEREOF

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Page/Page column 21, (2008/06/13)

A platelet aggregation inhibitor comprising a quinolone derivative or a pharmaceutically acceptable salt thereof as an active ingredient, and a novel quinolone derivative or a pharmaceutically acceptable salt thereof useful as a platelet aggregation inhibitor.

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