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870997-82-3

3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid is a chemical compound that belongs to the category of organic compounds known as isonicotinic acids. These compounds are characterized by a pyridine ring containing a carbonyl group at the 2-position and a carboxylic acid group at the 3-position. In this specific compound, the nitrogen on the pyridine ring is further substituted with a tert-butoxycarbonyl group, which is a protecting group often used in peptide synthesis. Additionally, a methoxy group is attached at the 2-position, contributing to its overall structure.

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  • 870997-82-3 Structure

  • Basic information

    1. Product Name: 3-(tert-butoxycarbonylaMino)-2-Methoxyisonicotinic acid
    2. Synonyms: 3-(tert-butoxycarbonylaMino)-2-Methoxyisonicotinic acid;Methyl 3-(tert-butoxycarbonylamino)-2-methoxyisonicotinate;3-[(t-butoxycarbonyl)aMino]-2-Methoxyisonicotinic acid
    3. CAS NO:870997-82-3
    4. Molecular Formula: C12H16N2O5
    5. Molecular Weight: 268
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 870997-82-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 412.0±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.288±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 12.69±0.70(Predicted)
    10. CAS DataBase Reference: 3-(tert-butoxycarbonylaMino)-2-Methoxyisonicotinic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(tert-butoxycarbonylaMino)-2-Methoxyisonicotinic acid(870997-82-3)
    12. EPA Substance Registry System: 3-(tert-butoxycarbonylaMino)-2-Methoxyisonicotinic acid(870997-82-3)

  • 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: 870997-82-3(Hazardous Substances Data)

870997-82-3 Usage

Uses

Used in Pharmaceutical Research:
3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid is used as a research compound for its potential applications in the development of pharmaceuticals. Its unique structure, including the tert-butoxycarbonyl protecting group and the methoxy substituent, may offer specific properties that could be exploited in the synthesis of new drug candidates.
Used in Synthetic Materials:
3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid is used as a building block in the synthesis of various synthetic materials. Its chemical structure may provide specific reactivity or properties that are desirable in the creation of new materials for applications such as coatings, adhesives, or polymers.
Used in Academic Research:
3-(tert-Butoxycarbonylamino)-2-methoxyisonicotinic acid is used as a subject of study in academic research to explore its chemical properties, reactivity, and potential interactions with other compounds. This research may contribute to a broader understanding of isonicotinic acids and their potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 870997-82-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,0,9,9 and 7 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 870997-82:
(8*8)+(7*7)+(6*0)+(5*9)+(4*9)+(3*7)+(2*8)+(1*2)=233
233 % 10 = 3
So 870997-82-3 is a valid CAS Registry Number.
InChI:InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-7(10(15)16)5-6-13-9(8)18-4/h5-6H,1-4H3,(H,14,17)(H,15,16)

870997-82-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 3-[(t-butoxycarbonyl)amino]-2-methoxyisonicotinic acid

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:870997-82-3 SDS

870997-82-3Relevant articles and documents

Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors

Labadie, Sharada,Barrett, Kathy,Blair, Wade S.,Chang, Christine,Deshmukh, Gauri,Eigenbrot, Charles,Gibbons, Paul,Johnson, Adam,Kenny, Jane R.,Kohli, Pawan Bir,Liimatta, Marya,Lupardus, Patrick J.,Shia, Steven,Steffek, Micah,Ubhayakar, Savita,Abbema, Anne Van,Zak, Mark

, p. 5923 - 5930 (2013/10/22)

A highly ligand efficient, novel 8-oxo-pyridopyrimidine containing inhibitor of Jak1 and Jak2 isoforms with a pyridone moiety as the hinge-binding motif was discovered. Structure-based design strategies were applied to significantly improve enzyme potency and the polarity of the molecule was adjusted to gain cellular activity. The crystal structures of two representative inhibitors bound to Jak1 were obtained to enable SAR exploration.

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