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TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE is a chemical compound with the molecular formula C13H20N2O3. It is an ester derivative of 3-cyanoacetyl-1-pyrrolidinecarboxylic acid, characterized by a tert-butyl group attached to the nitrogen atom of the pyrrolidine ring. TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals and is known for its potential use in research and development of new compounds. However, it is important to handle TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE with caution, as it may pose potential health and environmental hazards.

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  • 660406-89-3 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE
    2. Synonyms: TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE;3-(2-Cyano-acetyl)-pyrrolidine-1-carboxylic acid tert-butyl ester;1-Pyrrolidinecarboxylic acid, 3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester;1-Boc-3-(cyanoacetyl)pyrrolidine
    3. CAS NO:660406-89-3
    4. Molecular Formula: C12H18N2O3
    5. Molecular Weight: 238.29
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 660406-89-3.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE(660406-89-3)
    11. EPA Substance Registry System: TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE(660406-89-3)
  • 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: 660406-89-3(Hazardous Substances Data)

660406-89-3 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE is used as an intermediate in the synthesis of various pharmaceutical compounds for its ability to facilitate the creation of new drug molecules.
Used in Agrochemical Industry:
TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE is used as an intermediate in the synthesis of agrochemicals, contributing to the development of new pesticides or other agricultural chemicals.
Used in Research and Development:
TERT-BUTYL 3-CYANOACETYL-1-PYRROLIDINECARBOXYLATE is utilized in research and development for its potential in creating new compounds, enhancing the discovery of novel substances with various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 660406-89-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,6,0,4,0 and 6 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 660406-89:
(8*6)+(7*6)+(6*0)+(5*4)+(4*0)+(3*6)+(2*8)+(1*9)=153
153 % 10 = 3
So 660406-89-3 is a valid CAS Registry Number.

660406-89-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(2-cyanoacetyl)pyrrolidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names AB3356

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:660406-89-3 SDS

660406-89-3Downstream Products

660406-89-3Relevant articles and documents

Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12)

Patel, Snahel,Harris, Seth F.,Gibbons, Paul,Deshmukh, Gauri,Gustafson, Amy,Kellar, Terry,Lin, Han,Liu, Xingrong,Liu, Yanzhou,Liu, Yichin,Ma, Changyou,Scearce-Levie, Kimberly,Ghosh, Arundhati Sengupta,Shin, Young G.,Solanoy, Hilda,Wang, Jian,Wang, Bei,Yin, Jianping,Siu, Michael,Lewcock, Joseph W.

, p. 8182 - 8199 (2015/11/09)

Recent data suggest that inhibition of dual leucine zipper kinase (DLK, MAP3K12) has therapeutic potential for treatment of a number of indications ranging from acute neuronal injury to chronic neurodegenerative disease. Thus, high demand exists for selective small molecule DLK inhibitors with favorable drug-like properties and good CNS penetration. Herein we describe a shape-based scaffold hopping approach to convert pyrimidine 1 to a pyrazole core with improved physicochemical properties. We also present the first crystal structures of DLK. By utilizing a combination of property and structure-based design, we identified inhibitor 11, a potent, selective, and brain-penetrant inhibitor of DLK with activity in an in vivo nerve injury model.

Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach - Part 1

Dwyer, Michael P.,Paruch, Kamil,Labroli, Marc,Alvarez, Carmen,Keertikar, Kerry M.,Poker, Cory,Rossman, Randall,Fischmann, Thierry O.,Duca, Jose S.,Madison, Vincent,Parry, David,Davis, Nicole,Seghezzi, Wolfgang,Wiswell, Derek,Guzi, Timothy J.

scheme or table, p. 471 - 474 (2011/02/26)

The synthesis and hit-to-lead SAR development of a pyrazolo[1,5-a] pyrimidine hit 4 is described leading to a series of potent, selective CHK1 inhibitors such as compound 17r. In the Letter, the further utility of the pyrazolo[1,5-a]pyrimidine template fo

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