Lot numbers can be found on the outside label of a product:
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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CAS No. 631911-01-8
- Cat. No. CS-0101273
- Purity≥95%
- MDL No.MFCD08458198
*For research and further manufacturing use only, not for direct human use.
Structure of 631911-01-8
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General Information
- CAS No. 631911-01-8
- Cat. No. CS-0101273
- Purity ≥95%
- MDL No. MFCD08458198
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₂₀BNO₂
- Molecular Weight 233.11
- Synonym(s) 4-Amino-2-Methylphenylboronic Acid, Pinacol Ester
- SMILES NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1
Description
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline features a boronate ester group enabling reliable Suzuki-Miyaura cross-coupling reactions. The electron-rich aniline moiety pairs effectively with transition metals, while the tetramethyl-substituted dioxaborolane enhances stability and shelf life under ambient conditions. This compound serves as a key building block for functionalized arylamines in pharmaceutical and materials synthesis.
Synthesis
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Route1
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In-stock
883715-40-0 - ~97%
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In-stock
631911-01-8
References
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BRISTOL-MYERS SQUIBB COMPANY; AUSTIN, Joel, Francis; SHARMA, Lisa, S.; BALOG, James, Aaron; HUANG, Audris; VELAPARTHI, Upender; DARNE, Chetan, Padmakar; SAULNIER, Mark, George Patent: WO2012/15723 A1, 2012 ; Location in patent: Page/Page column 87; 88 ; WO 2012/015723 A1
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Route2
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In-stock
6933-10-4 -
25015-63-8 - ~46%
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In-stock
631911-01-8
References
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3-Dimensional Pharmaceuticals, Inc. Patent: US2004/9995 A1, 2004 ;
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Route3
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In-stock
73183-34-3 - ~%
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In-stock
631911-01-8
References
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WO2012/15723 A1, ; WO 2012/015723 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P280-P338-P351
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Quality Control
Computational Chemistry Data
- TPSA 44.48
- LogP 1.87642
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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