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"CHEMBRDG-BB 4022458" refers to a chemical compound with the identifier "BB 4022458" in the ChemBridge database. This database is a comprehensive resource for chemical structures and properties, often used in drug discovery and chemical research. The specific compound with the identifier "BB 4022458" is not a well-known or widely recognized chemical entity in the public domain, suggesting it may be a proprietary or less commonly studied substance. As such, detailed information about its properties, applications, or safety data would typically be found within the ChemBridge database or through direct inquiry to the database provider. Without access to ChemBridge's proprietary information, a more detailed summary of the chemical's characteristics cannot be provided.

4438-01-1

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4438-01-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4438-01-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,3 and 8 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4438-01:
(6*4)+(5*4)+(4*3)+(3*8)+(2*0)+(1*1)=81
81 % 10 = 1
So 4438-01-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2

4438-01-1SDS

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 2-(morpholin-4-ylmethyl)phenol

1.2 Other means of identification

Product number -
Other names 2-morpholin-4-ylmethylphenol

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:4438-01-1 SDS

4438-01-1Relevant academic research and scientific papers

Br?nsted acid catalysed chemo- andortho-selective aminomethylation of phenol

Li, Dongdong,Liu, Lu,Peng, Dan,Tang, Zhiqiong,Yue, Yidi

supporting information, p. 5777 - 5781 (2021/07/12)

We have developed a Br?nsted acid catalysed highlyortho-selective functionalization of free phenols with readily availableN,O-acetals under mild conditions, furnishing various corresponding aminomethylated phenol products in moderate to excellent yields. The salient features of this transformation include mild conditions, good substrate scope, excellentortho-selectivity, high efficiency, and ease of further transformation.

Decarbonylative Synthesis of Aryl Nitriles from Aromatic Esters and Organocyanides by a Nickel Catalyst

Iizumi, Keiichiro,Kurosawa, Miki B.,Isshiki, Ryota,Muto, Kei,Yamaguchi, Junichiro

supporting information, p. 1555 - 1559 (2020/11/10)

A decarbonylative cyanation of aromatic esters with aminoacetonitriles in the presence of a nickel catalyst was developed. The key to this reaction was the use of a thiophene-based diphosphine ligand, dcypt, permitting the synthesis of aryl nitrile without the generation of stoichiometric metal- or halogen-containing chemical wastes. A wide range of aromatic esters, including hetarenes and pharmaceutical molecules, can be converted into aryl nitriles.

Acetyl Acetone Covalent Triazine Framework: An Efficient Carbon Capture and Storage Material and a Highly Stable Heterogeneous Catalyst

Jena, Himanshu Sekhar,Krishnaraj, Chidharth,Wang, Guangbo,Leus, Karen,Schmidt, Johannes,Chaoui, Nicolas,Van Der Voort, Pascal

, (2018/06/11)

We present, for the first time, Covalent Triazine Frameworks functionalized with acetyl acetonate group (acac-CTFs). They are obtained from the polymerization of 4,4'-malonyldibenzonitrile under ionothermal conditions and exhibit BET surface areas up to 1626 m2/g. The materials show excellent CO2 uptake (3.30 mmol/g at 273 K and 1 bar), H2 storage capacity (1.53 wt% at 77 K and 1 bar) and a good CO2/N2 selectivity (up to 46 at 298 K). The enhanced CO2 uptake value and good selectivity are due to the presence of dual polar sites (N and O) throughout the material. In addition, acac-CTF was used to anchor VO(acac)2 as a heterogeneous catalyst. The V@acacCTF showed outstanding reactivity and reusability for the modified Mannich-type reaction with a higher turnover number than the homogeneous catalyst. The higher reactivity and reusability of the catalyst comes from the coordination of the vanadyl ions to the acetyl acetonate groups present in the material. The strong metalation is confirmed from Fourier Transform Infrared analysis, 13C MAS NMR spectral analysis and X-ray photoelectron spectroscopy measurement. Detailed characterization of the V@acac-CTF reveals that electron donation from O^O of the acetyl acetonate group to VO(acac)2, combined with the very high surface area of acac-CTF, is responsible for the stabilization of the catalyst. Overall, this contribution highlights the necessity of stable catalytic binding sites on heterogeneous supports to fabricate greener catalysts for sustainable chemistry.

The modified-Mannich reaction: Conversion of arylboronic acids and subsequent coupling with paraformaldehyde and amines toward the one-pot synthesis of Mannich bases and benzoxazines

Liu, Juan,Yuan, Gaoqing

supporting information, p. 1470 - 1473 (2017/03/23)

A modified Mannich reaction has been developed for the synthesis of Mannich bases and benzoxazines via the oxidative hydroxylation of arylboronic acids and subsequent coupling with paraformaldehyde and amines in one pot. This modified Mannich reaction is easily carried out to afford the target products in good to excellent yields and tolerates a variety of functional groups.

Cu(II)-Catalyzed ortho-Selective Aminomethylation of Phenols

Dai, Jin-Ling,Shao, Nan-Qi,Zhang, Jin,Jia, Run-Ping,Wang, Dong-Hui

supporting information, p. 12390 - 12393 (2017/09/23)

A Cu(II)-catalyzed ortho-selective functionalization of free phenols with trifluoroborates to afford Csp2-Csp3 coupling products under mild conditions has been developed. A variety of functional groups on the phenol and the potassium aminomethyltrifluoroborate substrates were found compatible, furnishing the corresponding products in moderate to excellent yields. A single-electron transfer radical coupling mechanism involving a six-membered transition state is proposed to rationalize the high levels of ortho-selectivity in the reaction. This protocol provides straightforward access to ortho-aminomethyl-substituted phenols, unnatural amino acids and other bioactive small molecules.

Redox-neutral α-oxygenation of amines: Reaction development and elucidation of the mechanism

Richers, Matthew T.,Breugst, Martin,Platonova, Alena Yu.,Ullrich, Anja,Dieckmann, Arne,Houk,Seidel, Daniel

, p. 6123 - 6135 (2014/05/20)

Cyclic secondary amines and 2-hydroxybenzaldehydes or related ketones react to furnish benzo[e][1,3]oxazine structures in generally good yields. This overall redox-neutral amine α-C-H functionalization features a combined reductive N-alkylation/oxidative α-functionalization and is catalyzed by acetic acid. In contrast to previous reports, no external oxidants or metal catalysts are required. Reactions performed under modified conditions lead to an apparent reductive amination and the formation of o-hydroxybenzylamines in a process that involves the oxidation of a second equivalent of amine. A detailed computational study employing density functional theory compares different mechanistic pathways and is used to explain the observed experimental findings. Furthermore, these results also reveal the origin of the catalytic efficiency of acetic acid in these transformations.

Anionic ortho-fries rearrangement, a facile route to arenol-based mannich bases

Assimomytis, Nikos,Sariyannis, Yiannis,Stavropoulos, Georgios,Tsoungas, Petros G.,Varvounis, George,Cordopatis, Paul

experimental part, p. 2777 - 2782 (2010/03/03)

Phenol and 1-naphthol-based carbamates undergo the anionic ortho-Fries rearrangement to their corresponding amides. Bulky substitution at position 8 of 1-naphthol-based carbamates makes the rearrangement an exclusive reaction, even at -90 C, under a variety of conditions. The amides can be efficiently reduced to the corresponding Mannich bases. A novel route to 7-[(dialkylamino)methyl]-8- hydroxy-1-naphthaldehydes is presented.

Regioselective mannich reaction of phenols under high pressure using dichloromethane as C1 unit

Matsumoto, Kiyoshi,Joho, Kouta,Mimori, Seisuke,Iida, Hirokazu,Hamana, Hiroshi,Kakehi, Akikazu

scheme or table, p. 1061 - 1067 (2009/06/28)

Regioselectivity in Mannich reaction of 4-, 3-, and 2-substituted phenols with typical heterocyclic amines are investigated under reaction conditions developed by us. Phenol and 4-alkyl, and 4-chlorophenols in the title reaction predominantly gave the corresponding 2-(aminomethyl)phenols, while 4-methoxyphenol afforded, in addition to the mono(aminomethyl)phenols, a considerable amount of the bis adducts. Peculiarly enough, 3-methylphenol with amines afforded 3-methyl-4-(aminomethyl)phenols whereas 2-methylphenol produced 2-methyl-6-(aminomethyl)phenols.

Substituents on quinone methides strongly modulate formation and stability of their nucleophilic adducts

Weinert, Emily E.,Dondi, Ruggero,Colloredo-Melz, Stefano,Frankenfield, Kristen N.,Mitchell, Charles H.,Freccero, Mauro,Rokita, Steven E.

, p. 11940 - 11947 (2007/10/03)

Electronic perturbation of quinone methides (QM) greatly influences their stability and in turn alters the kinetics and product profile of QM reaction with deoxynucleosides. Consistent with the electron-deficient nature of this reactive intermediate, electron-donating substituents are stabilizing and electron-withdrawing substituents are destabilizing. For example, a dC N3-QM adduct is made stable over the course of observation (7 days) by the presence of an electron-withdrawing ester group that inhibits QM regeneration. Conversely, a related adduct with an electron-donating methyl group is very labile and regenerates its QM with a half-life of approximately 5 h. The generality of these effects is demonstrated with a series of alternative quinone methide precursors (QMP) containing a variety of substituents attached at different positions with respect to the exocyclic methylene. The rates of nucleophilic addition to substituted QMs measured by laser flash photolysis similarly span 5 orders of magnitude with electron-rich species reacting most slowly and electron-deficient species reacting most quickly. The reversibility of QM reaction can now be predictably adjusted for any desired application.

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