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CAS

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668261-27-6

Tert-butyl 2-amino-5-iodo-benzoate is a chemical compound that belongs to the class of esters. It is a derivative of benzoic acid, with a tert-butyl group attached to the amino group at the 2 position and an iodine atom at the 5 position. This unique structure and functional groups make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. The presence of the iodine atom also makes it a potential candidate for use in radiolabeling studies for biological research.

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  • 668261-27-6 Structure

  • Basic information

    1. Product Name: tert-butyl 2-amino-5-iodo-benzoate
    2. Synonyms:
    3. CAS NO:668261-27-6
    4. Molecular Formula: C11H14INO2
    5. Molecular Weight: 319.1388
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 668261-27-6.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 360.343°C at 760 mmHg
    3. Flash Point: 171.73°C
    4. Appearance: N/A
    5. Density: 1.586g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.602
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: tert-butyl 2-amino-5-iodo-benzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 2-amino-5-iodo-benzoate(668261-27-6)
    12. EPA Substance Registry System: tert-butyl 2-amino-5-iodo-benzoate(668261-27-6)

  • 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: 668261-27-6(Hazardous Substances Data)

668261-27-6 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 2-amino-5-iodo-benzoate is used as a building block in organic synthesis for the construction of more complex molecules. Its versatile structure and functional groups make it a valuable intermediate in the synthesis of various compounds.
Used in Pharmaceutical Industry:
Tert-butyl 2-amino-5-iodo-benzoate is used as a key intermediate in the production of pharmaceuticals. Its unique structure and functional groups contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
Tert-butyl 2-amino-5-iodo-benzoate is used as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. Its versatile structure allows for the development of new compounds with improved efficacy and selectivity.
Used in Specialty Chemicals:
Tert-butyl 2-amino-5-iodo-benzoate is used as a starting material in the production of specialty chemicals, which have specific applications in various industries, such as coatings, adhesives, and polymers.
Used in Radiolabeling Studies:
Due to the presence of the iodine atom, tert-butyl 2-amino-5-iodo-benzoate is used as a potential candidate for radiolabeling studies in biological research. This allows for the tracking and visualization of biological processes and the evaluation of compound interactions within living organisms.

Check Digit Verification of cas no

The CAS Registry Mumber 668261-27-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,6,8,2,6 and 1 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 668261-27:
(8*6)+(7*6)+(6*8)+(5*2)+(4*6)+(3*1)+(2*2)+(1*7)=186
186 % 10 = 6
So 668261-27-6 is a valid CAS Registry Number.

668261-27-6SDS

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 2-amino-5-iodobenzoate

1.2 Other means of identification

Product number -
Other names t-butyl 2-amino-5-iodobenzoate

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:668261-27-6 SDS

668261-27-6Upstream product

668261-27-6Relevant articles and documents

Preparation of novel antibacterial agents. Replacement of the central aromatic ring with heterocycles

Li, Jianke,Wakefield, Brian D.,Ruble, J. Craig,Stiff, Cory M.,Romero, Donna L.,Marotti, Keith R.,Sweeney, Michael T.,Zurenko, Gary E.,Rohrer, Douglas C.,Thorarensen, Atli

, p. 2347 - 2350 (2008/12/21)

Discovery of novel antibacterial agents is a significant challenge. We have recently reported on our discovery of novel antibacterial agents in which we have rapidly optimized potency utilizing a parallel chemistry approach. These advanced leads suffer from high affinity for human serum albumin (HSA). In an effort to decrease the affinity for HSA we have prepared a series of heterocyclic analogs, which retained antibacterial activity and demonstrated reduced affinity for HSA.

ANTIBACTERIAL BENZOIC ACID DERIVATIVES

-

Page 368, (2010/02/06)

The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

ANTIBACTERIAL AGENTS

-

Page 24-25, (2010/02/06)

The present invention relates to antibacterial agents that are useful for sterilization, sanitation, antisepsis, and disinfection.

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