82353-56-8

Basic information

• Product Name: Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
• Synonyms: Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);N-tert-Butoxycarbonyl-D-alaninal;((R)-1-Methyl-2-oxo-ethyl)carbamic acid tert-butyl ester;(R)-2-(tert-Butoxycarbonylamino)propanal;(R)-2-(tert-Butoxycarbonylamino)propionaldehyde;CarbaMic acid, N-[(1R)-1-Methyl-2-oxoethyl]-, 1,1-diMethylethyl ester;(R)-tert-Butyl (1-oxopropan-2-yl)carbamate;Boc-D-Ala-aldehyde
• CAS NO: 82353-56-8
• Molecular Formula: C₈H₁₅NO₃
• Molecular Weight: 173.2096
• Product Categories: N-BOC
• Mol File: 82353-56-8.mol
• Article Data: 63

Chemical Properties

• Melting Point: 86-87℃
• Boiling Point: 249℃
• Flash Point: 104℃
• Appearance: /
• Density: 1.015
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• PKA: 11.43±0.46(Predicted)
• CAS DataBase Reference: Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)(82353-56-8)
• EPA Substance Registry System: Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)(82353-56-8)

Safety Data

• Hazardous Substances Data: 82353-56-8(Hazardous Substances Data)

Usage

General Description

Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI) is a chemical compound that is also known as t-butyl (1R)-1-methyl-2-oxoethylcarbamate. It is a colorless, highly volatile liquid with a pungent odor, and is commonly used as a solvent, chemical intermediate, and in the production of pharmaceuticals and agrochemicals. In addition, it is used in the manufacturing of plasticizers, adhesives, and coatings. It is important to handle this chemical with care, as it can irritate the eyes, skin, and respiratory system, and can be harmful if ingested or inhaled in large quantities. Proper safety precautions should be followed when working with this compound.

Upstream product

• 79069-13-9 (R)-2-tertbutoxycarbonylamino-1-propanol 
• 91103-47-8 N-(tert-butoxycarbonyl)-D-alanine methyl ester 
• 82353-54-6 [(R)-2-(3,5-Dimethyl-pyrazol-1-yl)-1-methyl-2-oxo-ethyl]-carbamic acid tert-butyl ester 
• 338-69-2 D-Alanine 
• 146553-06-2 tert-butyl N-[(1R)-2-[methoxy(methyl)amino]-1-methyl-2-oxo-ethyl]carbamate 
• 79069-13-9 (S)-2-t-butoxycarbonylaminopropan-1-ol 
• 3744-87-4 Boc-(R)-Ala 
• 24424-99-5 di-tert-butyl dicarbonate 
• 35320-23-1 (R)-2-aminopropan-1-ol 
• 106454-69-7 N-tert-butoxycarbonyl-D-Phenylalaninol 
• 18942-49-9 Boc-D-Phe-OH 

Downstream Products

• 82353-62-6 (R)-4-tert-Butoxycarbonylamino-3-hydroxy-2-methyl-pentanethioic acid S-phenyl ester 
• 82353-62-6 (2S,3S,4R)-4-tert-Butoxycarbonylamino-3-hydroxy-2-methyl-pentanethioic acid S-phenyl ester 
• 82353-59-1 (R)-4-tert-Butoxycarbonylamino-3-hydroxy-2-methyl-pentanethioic acid S-(4-nitro-phenyl) ester 
• 82353-59-1 (2S,3S,4R)-4-tert-Butoxycarbonylamino-3-hydroxy-2-methyl-pentanethioic acid S-(4-nitro-phenyl) ester 
• 114684-44-5 (R)-2-((R)-2-tert-Butoxycarbonylamino-propylamino)-propionic acid benzyl ester 
• 1027076-12-5 [2-(3-chloro-phenylamino)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 174787-77-0 (4R,5R)-5-tert-butoxycarbonylamino-1-hepten-4-ol 
• 324752-72-9 ((1R,2S)-2-Hydroxy-1-methyl-pent-4-enyl)-carbamic acid tert-butyl ester 
• 193076-90-3 (1R,2R)-N-tert-butoxycarbonyl-1-methyl-2-hydroxy-3-cyclohexylpropylamine 
• 757976-25-3 tert-butyl {(1R)-2-[(4-methoxyphenyl)amino]-1-methylethyl}carbamate 
• 911470-50-3 (Z)-(R)-2-Benzyloxycarbonylamino-4-tert-butoxycarbonylamino-pent-2-enoic acid methyl ester 
• 1027916-83-1 4-(3-chloro-phenyl)-2-methyl-5-oxo-piperazine-1-carboxylic acid tert-butyl ester 
• 120881-97-2 ((R)-1-Methyl-2-oxo-but-3-enyl)-carbamic acid tert-butyl ester 
• 114684-45-6 (R)-2-[Benzyloxycarbonyl-((R)-2-tert-butoxycarbonylamino-propyl)-amino]-propionic acid benzyl ester 

Relevant articles and documents

Studies towards the synthesis of superstolide A. Synthesis and stereochemical assignment of the C(21)-C(26) fragment of superstolide A

An asymmetric synthesis of the C(21)_C(26) fragment of superstolide A is described. A fragment, corresponding to a reductive ozonolysis product of superstolide, was also prepared. Comparison of spectroscopic and optical properties of the corresponding fragment obtained by degradation of natural superstolide A allowed the confirmation of the stereochemistry of the natural product.

Purines. XLV. Syntheses and cytokinin activities of the cis isomers of (1'R)-1'-methylzeatin and its 9-β-D-ribofuranoside

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Purines. XXXIII. Syntheses and cytokinin activities of both enantiomers of 1'-methylzeatin and their 9-β-D-ribofuranosides

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Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating β-Thalassemia and Sickle Cell Disease

Therapeutic reactivation of the γ-globin genes for fetal hemoglobin (HbF) production is an attractive strategy for treating β-thalassemia and sickle cell disease. It was reported that genetic knockdown of the histone lysine methyltransferase EHMT2/1 (G9a/GLP) is sufficient to induce HbF production. The aim of the present work was to acquire a G9a/GLP inhibitor that induces HbF production sufficiently. It was revealed that tetrahydroazepine has versatility as a side chain in various skeletons. We ultimately obtained a promising aminoindole derivative (DS79932728), a potent and orally bioavailable G9a/GLP inhibitor that was found to induce γ-globin production in a phlebotomized cynomolgus monkey model. This work could facilitate the development of effective new approaches for treating β-thalassemia and sickle cell disease.

Chiral 1,5-disubstituted 1,2,3-triazoles-versatile tools for foldamers and peptidomimetic applications

1,4- A nd 1,5-Disubstituted triazole amino acid monomers have gained increasing interest among peptidic foldamers, as they are easily prepared via Cu- A nd Ru-catalyzed click reactions, with the potential for side chain variation. While the latter is key to their applicability, the synthesis and structural properties of the chiral mono-or disubstituted triazole amino acids have only been partially addressed. We here present the synthesis of all eight possible chiral derivatives of a triazole monomer prepared via a ruthenium-catalyzed azide alkyne cycloaddition (RuAAC). To evaluate the conformational properties of the individual building units, a systematic quantum chemical study was performed on all monomers, indicating their capacity to form several low energy conformers. This feature may be used to effect structural diversity when the monomers are inserted into various peptide sequences. We envisage that these results will facilitate new applications for these artificial oligomeric compounds in diverse areas, ranging from pharmaceutics to biotechnology.