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(4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER, with the molecular formula C11H17N3O2, is a carbamic acid ester derivative that plays a significant role in the pharmaceutical and agricultural industries. This versatile compound is utilized as a building block in the synthesis of various compounds and serves as a reagent in organic chemical reactions. Due to its potential toxicity and unknown hazards, it is crucial to handle this chemical with caution.

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  • 639091-78-4 Structure
  • Basic information

    1. Product Name: (4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
    2. Synonyms: RARECHEM AL BW 2482;(4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER;2-(Boc-amino)-4-(aminomethyl)pyridine;tert-butyl N-[4-(aMinoMethyl)pyridin-2-yl]carbaMate
    3. CAS NO:639091-78-4
    4. Molecular Formula: C11H17N3O2
    5. Molecular Weight: 223.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 639091-78-4.mol
  • Chemical Properties

    1. Melting Point: 131-132 °C
    2. Boiling Point: 321.9°C at 760 mmHg
    3. Flash Point: 148.5°C
    4. Appearance: /
    5. Density: 1.164g/cm3
    6. Vapor Pressure: 0.000289mmHg at 25°C
    7. Refractive Index: 1.567
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 12.42±0.70(Predicted)
    11. CAS DataBase Reference: (4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: (4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER(639091-78-4)
    13. EPA Substance Registry System: (4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER(639091-78-4)
  • 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: 639091-78-4(Hazardous Substances Data)

639091-78-4 Usage

Uses

Used in Pharmaceutical Industry:
(4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a building block for the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agricultural Industry:
In the agricultural sector, (4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a reagent in organic chemical reactions, aiding in the production of agrochemicals and other related products.
Used in Organic Chemical Reactions:
(4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a reagent in various organic chemical reactions, facilitating the synthesis of a wide range of organic compounds for different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 639091-78-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,3,9,0,9 and 1 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 639091-78:
(8*6)+(7*3)+(6*9)+(5*0)+(4*9)+(3*1)+(2*7)+(1*8)=184
184 % 10 = 4
So 639091-78-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H17N3O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,7,12H2,1-3H3,(H,13,14,15)

639091-78-4SDS

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 2-(Boc-amino)-4-(aminomethyl)pyridine

1.2 Other means of identification

Product number -
Other names tert-butyl N-[4-(aminomethyl)pyridin-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:639091-78-4 SDS

639091-78-4Downstream Products

639091-78-4Relevant articles and documents

Discovery of an N-(2-aminopyridin-4-ylmethyl)nicotinamide derivative: A potent and orally bioavailable NCX inhibitor

Kuramochi, Takahiro,Kakefuda, Akio,Yamada, Hiroyoshi,Tsukamoto, Issei,Taguchi, Taku,Sakamoto, Shuichi

, p. 4022 - 4036 (2007/10/03)

Ca2+ overload in myocardial cells is responsible for arrhythmia. Sodium-calcium exchanger (NCX) inhibitors are more effective than sodium-hydrogen exchanger (NHE) inhibitors with regard to modulation of Ca 2+ overload, because NCX inhibitors can directly inhibit the influx of Ca2+ into cells. NCX is an attractive target for the treatment of heart failure and ischemia-reperfusion. We have designed and synthesized a series of N-(2-aminopyridin-4-ylmethyl)nicotinamide derivatives, based on compound 5. We have discovered a novel NCX inhibitor (23h) with an IC 50 value of 0.12 μM against reverse NCX. The inhibitory activities of our NCX inhibitors against cytochrome P450 were also evaluated. The effects on heart failure and the pharmacokinetic profile of compound 23h are discussed.

NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN

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Page/Page column 108, (2008/06/13)

There is provided a compound of formula I, wherein the dashed line, R1, R2, R3a, R3b, A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN

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Page/Page column 99-100, (2010/02/12)

There is provided a compound of formula (I) wherein R1, R2a, R2b, R3a, R3b, R4, R5, R6, A, G and L have meanings given in the description, which compounds are useful a

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