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(3-Formyl-phenyl)-carbamic acid tert-butyl ester, also known as tert-butyl (3-formylphenyl)carbamate, is a carbamate ester with the molecular formula C12H15NO3. It is a white crystalline solid that is soluble in organic solvents and slightly soluble in water. This chemical compound is frequently used as a reagent in organic synthesis and pharmaceutical research, particularly as a protecting group for amines. Its versatile reactivity and stability make it a valuable building block for the synthesis of various pharmaceutical and agrochemical products.

176980-36-2

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176980-36-2 Usage

Uses

Used in Organic Synthesis:
(3-Formyl-phenyl)-carbamic acid tert-butyl ester is used as a protecting group for amines in organic synthesis. It provides a stable and easily removable protection, allowing for the selective modification of amines in complex molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, (3-Formyl-phenyl)-carbamic acid tert-butyl ester is used as a building block for the synthesis of various pharmaceutical products. Its versatility and reactivity enable the development of new compounds with potential therapeutic applications.
Used in Agrochemical Synthesis:
(3-Formyl-phenyl)-carbamic acid tert-butyl ester is also utilized in the synthesis of agrochemicals, contributing to the development of new pesticides and other agricultural chemicals.
Safety Precautions:
It is important to handle (3-Formyl-phenyl)-carbamic acid tert-butyl ester with care, as it is classified as harmful if swallowed and can cause irritation to the eyes and skin upon contact. Proper safety measures, such as wearing protective clothing and using appropriate containment, should be taken during its use in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 176980-36-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,6,9,8 and 0 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 176980-36:
(8*1)+(7*7)+(6*6)+(5*9)+(4*8)+(3*0)+(2*3)+(1*6)=182
182 % 10 = 2
So 176980-36-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15)

176980-36-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl N-(3-formylphenyl)carbamate

1.2 Other means of identification

Product number -
Other names (3-formylphenyl)carbamic acid tert-butyl ester

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:176980-36-2 SDS

176980-36-2Relevant articles and documents

CLPX INHIBITORY COMPOUNDS FOR THE TREATMENT OF MULTI RESISTANT STAPHYLOCOCCUS AUREUS VIRULENCE AND FOR THE TREATMENT OF LEUKEMIA

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Page/Page column 27, (2018/07/26)

The present invention relates to antibiotic compounds and their use as ClpX inhibitors and in the treatment of bacterial infections, such as infections with multi-resistant Staphylococcus aureas, and in the treatment of leukemia. The present invention fur

Preparation of acetals from aldehydes and alcohols under basic conditions

Grabowski, Jakub,Granda, Jaros?aw M.,Jurczak, Janusz

supporting information, p. 3114 - 3120 (2018/05/17)

A new, simple protocol for the synthesis of acetals under basic conditions from non-enolizable aldehydes and alcohols has been reported. Such reactivity is facilitated by a sodium alkoxide along with a corresponding trifluoroacetate ester, utilizing formation of sodium trifluoroacetate as a driving force for acetal formation. The usefulness of this protocol is demonstrated by its orthogonality with various acid-sensitive protecting groups and by good compatibility with functional groups, delivering synthetically useful acetals complementarily to the synthesis under acidic conditions from aldehydes and alcohols.

Palladium-Catalyzed Suzuki–Miyaura Cross-Coupling of Secondary α-(Trifluoromethyl)benzyl Tosylates

Brambilla, Marta,Tredwell, Matthew

supporting information, p. 11981 - 11985 (2017/09/20)

A palladium-catalyzed C(sp3)?C(sp2) Suzuki–Miyaura cross-coupling of aryl boronic acids and α-(trifluoromethyl)benzyl tosylates is reported. A readily available, air-stable palladium catalyst was employed to access a wide range of functionalized 1,1-diaryl-2,2,2-trifluoroethanes. Enantioenriched α-(trifluoromethyl)benzyl tosylates were found to undergo cross-coupling to give the corresponding enantioenriched cross-coupled products with an overall inversion in configuration. The crucial role of the CF3 group in promoting this transformation is demonstrated by comparison with non-fluorinated derivatives.

Selective reduction of carboxylic acids to aldehydes with hydrosilane: Via photoredox catalysis

Zhang, Muliang,Li, Nan,Tao, Xingyu,Ruzi, Rehanguli,Yu, Shouyun,Zhu, Chengjian

supporting information, p. 10228 - 10231 (2017/09/22)

The direct reduction of carboxylic acids to aldehydes with hydrosilane was achieved through visible light photoredox catalysis. The combination of both single electron transfer and hydrogen atom transfer steps offers a novel and convenient approach to selective reduction of carboxylic acids to aldehydes. The method also features mild conditions, high yields, broad substrate scope, and good functional group tolerance, such as alkyne, ester, ketone, amide and amine groups.

A Chemical Disruptor of the ClpX Chaperone Complex Attenuates the Virulence of Multidrug-Resistant Staphylococcus aureus

Fetzer, Christian,Korotkov, Vadim S.,Th?nert, Robert,Lee, Kyu Myung,Neuenschwander, Martin,von Kries, Jens Peter,Medina, Eva,Sieber, Stephan A.

supporting information, p. 15746 - 15750 (2017/10/20)

The Staphylococcus aureus ClpXP protease is an important regulator of cell homeostasis and virulence. We utilized a high-throughput screen against the ClpXP complex and identified a specific inhibitor of the ClpX chaperone that disrupts its oligomeric sta

CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER

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Paragraph 0390; 0391, (2017/05/15)

The present invention relates to an antibody-drug-conjugate or pharmaceutical composition comprising the same. From one aspect, the invention relates to an antibody-drug-conjugate (ADC) comprising an antibody consisting of the Trastuzumab or a biosimilar thereof, said antibody being conjugated to at least one drug consisting of a monomethyl auristatin F derivative. The invention also comprises method of treatment of cancer comprising administering to the subject an effective amount of said antibody-drug-conjugate or composition comprising the same.

Optimization and biological evaluation of 2-aminobenzothiazole derivatives as Aurora B kinase inhibitors

Lee, Eun,An, Ying,Kwon, Junhee,Kim, Keun Il,Jeon, Raok

, p. 3614 - 3622 (2017/06/13)

A strong relationship between abnormal functions of Aurora kinases and tumorigenesis has been reported for decades. Consequently, Aurora kinases serve as potential targets for anticancer agents. Here, we identified aminobenzothiazole derivatives as novel inhibitors of Aurora B kinase through bioisosteric replacement of the previous inhibitors, aminobenzoxazole derivatives. Most of the urea-linked aminobenzothiazole derivatives showed potent and selective inhibitory activity against Aurora B kinase over Aurora A kinase. Molecular modeling indicated that compound 15g bound well to the active site of Aurora B kinase and formed the essential hydrogen bonds. The potent compounds, 15g and 15k, were selected, and their biological effects were evaluated using HeLa cell lines. It was found that these compounds inhibited the phosphorylation of histone H3 at Ser10 and induced G2/M cell cycle arrest. We suggest that the reported compounds have the potential to be further developed as anticancer therapeutics.

COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER

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Page/Page column 137, (2017/05/17)

The present invention relates to a method for the treatment of IGF-IR expressing cancers as well as to a compositions and a kit for said traitment. From one aspect, the invention reates to the combined use of a first antibody for the determination of the IGF-IR status of a cancer and a second antibody used as an ADC for the treatment of said cancer.

Simple and Efficient Ruthenium-Catalyzed Oxidation of Primary Alcohols with Molecular Oxygen

Ray, Ritwika,Chandra, Shubhadeep,Maiti, Debabrata,Lahiri, Goutam Kumar

supporting information, p. 8814 - 8822 (2016/07/06)

Oxidative transformations utilizing molecular oxygen (O2) as the stoichiometric oxidant are of paramount importance in organic synthesis from ecological and economical perspectives. Alcohol oxidation reactions that employ O2are scarce in homogeneous catalysis and the efficacy of such systems has been constrained by limited substrate scope (most involve secondary alcohol oxidation) or practical factors, such as the need for an excess of base or an additive. Catalytic systems employing O2as the “primary” oxidant, in the absence of any additive, are rare. A solution to this longstanding issue is offered by the development of an efficient ruthenium-catalyzed oxidation protocol, which enables smooth oxidation of a wide variety of primary, as well as secondary benzylic, allylic, heterocyclic, and aliphatic, alcohols with molecular oxygen as the primary oxidant and without any base or hydrogen- or electron-transfer agents. Most importantly, a high degree of selectivity during alcohol oxidation has been predicted for complex settings. Preliminary mechanistic studies including18O labeling established the in situ formation of an oxo–ruthenium intermediate as the active catalytic species in the cycle and involvement of a two-electron hydride transfer in the rate-limiting step.

CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER

-

Page/Page column 66, (2016/11/17)

The present invention relates to an antibody-drug-conjugate. From one aspect, the invention relates to an antibody-drug-conjugate comprising an antibody consisting of the Trastuzumab, said antibody being conjugated to at least one drug consisting of a monomethyl auristatin F derivative. The invention also comprises method of treatment and the use of said antibody-drug-conjugate for the treatment of cancer.

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