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CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER is a chemical compound characterized by the molecular formula C9H12N4O4. It is a derivative of carbamic acid with a 5-nitro-2-pyridinyl group and a 1,1-dimethylethyl ester moiety. CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER is known for its pesticidal and herbicidal properties, making it a valuable agent in agricultural applications.

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  • 161117-88-0 Structure
  • Basic information

    1. Product Name: CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
    2. Synonyms: CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER;tert-butyl 5-nitropyridin-2-ylcarbaMate
    3. CAS NO:161117-88-0
    4. Molecular Formula: C10H13N3O4
    5. Molecular Weight: 239.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 161117-88-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 325.154°C at 760 mmHg
    3. Flash Point: 150.448°C
    4. Appearance: /
    5. Density: 1.304g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 11.35±0.70(Predicted)
    11. CAS DataBase Reference: CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER(161117-88-0)
    13. EPA Substance Registry System: CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER(161117-88-0)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-36-43
    3. Safety Statements: 26-36/37
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 161117-88-0(Hazardous Substances Data)

161117-88-0 Usage

Uses

Used in Agricultural Industry:
CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER is used as a pesticide and herbicide for controlling a broad spectrum of pests. It acts as a contact and stomach insecticide with both systemic and residual activity, providing effective control against various pests such as aphids, thrips, beetles, and caterpillars.
The application of this compound in agriculture is primarily for the protection of crops from damaging pests, ensuring higher yields and better crop quality. However, it is crucial to handle CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER with care due to its toxicity to aquatic organisms and potential long-lasting environmental effects. Proper management and application techniques are essential to minimize its impact on non-target species and the ecosystem.

Check Digit Verification of cas no

The CAS Registry Mumber 161117-88-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,1,1,1 and 7 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 161117-88:
(8*1)+(7*6)+(6*1)+(5*1)+(4*1)+(3*7)+(2*8)+(1*8)=110
110 % 10 = 0
So 161117-88-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H13N3O4/c1-10(2,3)17-9(14)12-8-5-4-7(6-11-8)13(15)16/h4-6H,1-3H3,(H,11,12,14)

161117-88-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl (5-nitropyridin-2-yl)carbamate

1.2 Other means of identification

Product number -
Other names tert-butyl N-(5-nitropyridin-2-yl)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:161117-88-0 SDS

161117-88-0Downstream Products

161117-88-0Relevant articles and documents

Discovery of novel heterocyclic factor VIIa inhibitors

Rai, Roopa,Kolesnikov, Aleksandr,Sprengeler, Paul A.,Torkelson, Steven,Ton, Tony,Katz, Bradley A.,Yu, Christine,Hendrix, John,Shrader, William D.,Stephens, Robin,Cabuslay, Ronnell,Sanford, Ellen,Young, Wendy B.

, p. 2270 - 2273 (2006)

Structure-activity relationships and binding mode of novel heterocyclic factor VIIa inhibitors will be described. In these inhibitors, a highly basic 5-amidinoindole moiety has been successfully replaced with a less basic 5-aminopyrrolo[3,2-b]pyridine sca

HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF

-

Page/Page column 103; 104, (2016/08/23)

The application is directed to compounds of formula (IA) : and specifically compounds of formula (I) and their salts and solvates, wherein R1, R11, R12, R13, R4, R5, n, A1, A2, and A3 are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of conditions associated with the alteration of the activity of β-galactosidase, specially galactosidase beta-1 or GLB1, including GM1 gangliosidoses and Morquio syndrome, type B.

PLATELET ADP RECEPTOR INHIBITORS

-

Paragraph 0132, (2016/08/17)

no abstract published

TYK2 INHIBITORS AND USES THEREOF

-

Paragraph 001167; 001168, (2015/09/28)

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

Azonia Aromatic Cations by Ring-Closing Metathesis: Synthesis of Azaquinolizinium Cations

Abeng?zar, Alberto,Abarca, Beatriz,Cuadro, Ana M.,Sucunza, David,álvarez-Builla, Julio,Vaquero, Juan J.

, p. 4214 - 4223 (2015/06/30)

A strategy based on a ring-closing metathesis (RCM) reaction of pyridinium azadienes in the presence of the second generation Grubbs catalyst was employed as a new approach to synthesize the 1-azaquinolizinium (pyrido[1,2-a]pyrimidin-5-ium) heterocycle and some simple derivatives. This method was also successfully applied to the first reported synthesis of the benzo-1-azaquinolizinium (pyrimido[2,1-a]isoquinolinium) cation by using the Hoveyda-Grubbs catalyst in Cl2CHCHCl2 at 130 C.

TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN

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Page/Page column 68, (2014/03/25)

The present invention relates to tricyclic alkyne compounds of formula I that interact with glucokinase regulatory protein. In addition, the present invention relates to methods of treating type 2 diabetes, and other diseases and/or conditions where gluco

Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N′-arylpiperazine series

Nishimura, Nobuko,Norman, Mark H.,Liu, Longbin,Yang, Kevin C.,Ashton, Kate S.,Bartberger, Michael D.,Chmait, Samer,Chen, Jie,Cupples, Rod,Fotsch, Christopher,Helmering, Joan,Jordan, Steven R.,Kunz, Roxanne K.,Pennington, Lewis D.,Poon, Steve F.,Siegmund, Aaron,Sivits, Glenn,Lloyd, David J.,Hale, Clarence,St. Jean, David J.

supporting information, p. 3094 - 3116 (2014/05/06)

We have recently reported a novel approach to increase cytosolic glucokinase (GK) levels through the binding of a small molecule to its endogenous inhibitor, glucokinase regulatory protein (GKRP) these initial investigations culminated in the identification of 2-(4-((2S)-4-((6-amino-3- pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)phenyl)-1,1,1,3,3, 3-hexafluoro-2-propanol (1, AMG-3969), a compound that effectively enhanced GK translocation and reduced blood glucose levels in diabetic animals. Herein we report the results of our expanded SAR investigations that focused on modifications to the aryl carbinol group of this series. Guided by the X-ray cocrystal structure of compound 1 bound to hGKRP, we identified several potent GK-GKRP disruptors bearing a diverse set of functionalities in the aryl carbinol region. Among them, sulfoximine and pyridinyl derivatives 24 and 29 possessed excellent potency as well as favorable PK properties. When dosed orally in db/db mice, both compounds significantly lowered fed blood glucose levels (up to 58%).

SULFONYL COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN

-

Page/Page column 59; 60, (2013/08/28)

The present invention relates to sulfonyl compounds that interact with glucokinase regulatory protein. In addition, the present invention relates to methods of treating type 2 diabetes, and other diseases and/or conditions where glucokinase regulatory protein is involved using the compounds, or pharmaceutically acceptable salts thereof, and pharmaceutical compositions that contain the compounds, or pharmaceutically acceptable salts thereof.

Imidazopyridine derivatives as PI3K inhibitors

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Page/Page column 41, (2012/11/13)

New imidazopyridine derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks)

IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS

-

Page/Page column 95, (2012/11/13)

New imidazopyridine derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks).

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