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3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE is a boronic acid derivative with the molecular formula C16H25BNO. It features a benzene ring with a methyl group at the 3-position and a boron-containing heterocycle at the 2-position. This unique structure and reactivity make it a valuable building block in organic synthesis and medicinal chemistry, particularly for reactions such as Suzuki couplings and other cross-coupling reactions.

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  • 631909-35-8 Structure
  • Basic information

    1. Product Name: 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE
    2. Synonyms: 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE;3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);Benzenamine,3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;3-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine
    3. CAS NO:631909-35-8
    4. Molecular Formula: C13H20BNO2
    5. Molecular Weight: 233.11
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 631909-35-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 352.3±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.03±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.02±0.11(Predicted)
    10. CAS DataBase Reference: 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE(631909-35-8)
    12. EPA Substance Registry System: 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE(631909-35-8)
  • 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: 631909-35-8(Hazardous Substances Data)

631909-35-8 Usage

Uses

Used in Organic Synthesis:
3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE is used as a reagent for forming bonds with other molecules in various organic synthesis processes. Its boron-containing group facilitates cross-coupling reactions, making it a versatile component in the creation of complex organic compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENAMINE is also utilized in the agrochemical industry as a building block for the synthesis of agrochemicals. Its reactivity and structural features enable the development of new compounds with potential applications in crop protection and other agricultural areas.

Check Digit Verification of cas no

The CAS Registry Mumber 631909-35-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,3,1,9,0 and 9 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 631909-35:
(8*6)+(7*3)+(6*1)+(5*9)+(4*0)+(3*9)+(2*3)+(1*5)=158
158 % 10 = 8
So 631909-35-8 is a valid CAS Registry Number.

631909-35-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

1.2 Other means of identification

Product number -
Other names 3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine

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:631909-35-8 SDS

631909-35-8Downstream Products

631909-35-8Relevant articles and documents

AGRICULTURAL CHEMICALS

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Page/Page column 39, (2019/08/08)

The present invention relates to benzimidazole and benzotriazole compounds which are of use in the field of agriculture as fungicides.

Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2

Moustakim, Moses,Riedel, Kerstin,Schuller, Marion,Gehring, Andrè P.,Monteiro, Octovia P.,Martin, Sarah P.,Fedorov, Oleg,Heer, Jag,Dixon, Darren J.,Elkins, Jonathan M.,Knapp, Stefan,Bracher, Franz,Brennan, Paul E.

supporting information, p. 2965 - 2972 (2018/03/26)

The polyadenosine-diphosphate-ribose polymerase 14 (PARP14) has been implicated in DNA damage response pathways for homologous recombination. PARP14 contains three (ADP ribose binding) macrodomains (MD) whose exact contribution to overall PARP14 function in pathology remains unclear. A medium throughput screen led to the identification of N-(2(-9H-carbazol-1-yl)phenyl)acetamide (GeA-69, 1) as a novel allosteric PARP14 MD2 (second MD of PARP14) inhibitor. We herein report medicinal chemistry around this novel chemotype to afford a sub-micromolar PARP14 MD2 inhibitor. This chemical series provides a novel starting point for further development of PARP14 chemical probes.

Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions

-

, (2008/06/13)

Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS

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Page 113-114, (2010/02/05)

Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula (I) or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

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