122734-32-1

Basic information

• Product Name: tert-Butyl 2-(methylamino)ethylcarbamate
• Synonyms: 1-BOC-AMINO-2-METHYLAMINO-ETHANE;BUTTPARK 90\06-21;TERT-BUTYL 2-(METHYLAMINO)ETHYLCARBAMATE;Boc-2-(Methylamino)ethylcarbamate;Carbamic acid, [2-(methylamino)ethyl]-, 1,1-dimethylethyl ester (9CI);N-(tert-Butoxycarbonyl)-N-methylethylenediamine;tert-Butyl 2-(methylamino)ethylcarbamate HCl;1-BOC-Amino-2-methylamino-ethane(HClform)
• CAS NO: 122734-32-1
• Molecular Formula: C₈H₁₈N₂O₂
• Molecular Weight: 174.24
• Product Categories: N-BOC
• Mol File: 122734-32-1.mol
• Article Data: 19

Chemical Properties

• Melting Point: 35 °C
• Boiling Point: 260.1 °C at 760 mmHg
• Flash Point: 111.1 °C
• Appearance: /
• Density: 0.958 g/cm³
• Vapor Pressure: 0.0125mmHg at 25°C
• Refractive Index: 1.441
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 12?+-.0.46(Predicted)
• CAS DataBase Reference: tert-Butyl 2-(methylamino)ethylcarbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 2-(methylamino)ethylcarbamate(122734-32-1)
• EPA Substance Registry System: tert-Butyl 2-(methylamino)ethylcarbamate(122734-32-1)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 122734-32-1(Hazardous Substances Data)

Usage

Chemical Properties

White to very pale yellow solid

InChI:InChI=1/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 109-81-9 N-methyl-ethane-1,2-diamine 
• 71999-74-1 tert-butyl N-(2-chloroethyl)carbamate 
• 39684-80-5 2-(tert-butoxycarbonylamino)ethyl bromide 
• 74-89-5 methylamine 
• 49761-82-2 tert-butyl 1H-imidazole-1-carboxylate 
• 214000-16-5 N-(tert-butoxycarbonyl)-N'-(2-nitrobenzenesulfonyl)ethylenediamine 
• 1432971-80-6 C₁₆H₂₄N₂O₄ 
• 174799-52-1 tert-butyl {2-[benzylamino]ethyl}carbamate 
• 57260-73-8 N-BOC-1,2-diaminoethane 
• 849472-99-7 [2-(benzylmethylamino)ethyl]carbamic acid tert-butyl ester 
• 74-88-4 methyl iodide 
• 58632-95-4 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile 

Downstream Products

• 909804-24-6 (2-{[(2-tert-butoxycarbonylamino-ethyl)-methyl-amino]-methyl}-phenyl)-boronic acid 
• 170794-70-4 4-iodo-N-(2-methylaminoethyl)benzamide 
• 1000147-58-9 4-bromo-2-fluoro-N-(2-dimethylaminoethyl)benzamide 
• 328084-02-2 (2-{[1-(3,4-Dichloro-benzyl)-piperidin-4-yl]-methyl-amino}-ethyl)-carbamic acid tert-butyl ester 
• 1149367-42-9 C₂₁H₂₇N₃O₄ 
• 1204318-22-8 tert-butyl 2-(2-hydroxy-N-methylbenzamido)ethylcarbamate 
• 1432971-80-6 C₁₆H₂₄N₂O₄ 
• 690953-90-3 ethyl 2-((2-aminoethyl)(methyl)amino)acetate dihydrochloride 

Relevant articles and documents

Microwave-assisted synthesis and biological evaluation of novel uracil derivatives inhibiting human thymidine phosphorylase

New 5-chloro-6-substituted-uracil derivatives have been prepared by microwave assisted-synthesis and tested in vitro as thymidine phosphorylase inhibitors. One of these compounds showed potent inhibitory activity, with an IC50 value in the subm

Design and synthesis of novel PRMT1 inhibitors and investigation of their binding preferences using molecular modelling

Protein arginine methyltransferase 1 (PRMT1) catalyses the methylation of substrate arginine by transferring the methyl group from SAM (S-adenosyl-L-methionine), which leads to the formation of S-adenosyl homocysteine (SAH) and methylated arginine. We have shown previously that the Asp84 on PRMT1 could be a potential inhibitor binding site. In the current study, 28 compounds were designed and synthesized that were predicted to bind the Asp84 and substrate arginine sites together. Among them, 6 compounds were identified as potential PRMT1 inhibitors, and showed strong inhibitory effects on cancer cell lines, especially HepG2. The most potent PRMT1 inhibitor, compound 13d, was selected for molecular dynamic simulations to investigate binding poses. Based on the free energy calculations and structural analysis, we predicted that the ethylenediamine group would tightly bind to Asp84, and the trifluoromethyl group should occupy part of substrate arginine binding site, which is consistent with our original goal. Our results show for the first time that PRMT1 inhibitors can target the Asp84 binding site, which will be helpful for future drug discovery studies.

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