3589-42-2

Basic information

• Product Name: Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester
• Synonyms: Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester;N-[(1S)-1-Cyano-3-methylbutyl]carbamic acid benzyl ester;Carbamic acid, (1-cyano-3-methylbutyl)-, benzyl ester (7CI,8CI);Carbamic acid, (1-cyano-3-methylbutyl)-, phenylmethyl ester, (S)- (9CI);(S)-N-Cbz-Leucinenitrile;N-[(1S)-1-cyano-3-methylbutyl]-carbamicacidphenylmethylester;(S)-benzyl 1-cyano-3-methylbutylcarbamate
• CAS NO: 3589-42-2
• Molecular Formula: C₁₄H₁₈N₂O₂
• Molecular Weight: 246.3
• Mol File: 3589-42-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 405.4 °C at 760 mmHg
• Flash Point: 199 °C
• Appearance: /
• Density: 1.081
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester(3589-42-2)
• EPA Substance Registry System: Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester(3589-42-2)

Safety Data

• Hazardous Substances Data: 3589-42-2(Hazardous Substances Data)

Usage

General Description

Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester is a chemical compound that falls under the category of carbamic acids and derivatives. Its molecular structure is characterized by a carbamic acid ester group, a phenylmethyl (or benzyl) group, a nitrile, and an isobutyl group. Carbamic acid, N-[(1S)-1-cyano-3-methylbutyl]-, phenylmethyl ester with a complex structure can be involved in various chemical reactions and can be synthesized in the laboratory. Its properties and potential uses vary and are subject to scientific exploration. Its specific application has yet to be fully identified, which makes it a possible topic for further scientific research and exploration.

Upstream product

• 70853-26-8 N-carbobenzoxy-L-leucinal 
• 148854-04-0 (C₈H₇O₂)(NHCHCOO)(CH₂C₃H₇)(CO₂C₂H₅) 
• 501-53-1 benzyl chloroformate 
• 4801-79-0 N-benzyloxycarbonyl-L-leucinamide 
• 61-90-5 L-leucine 
• 2018-66-8 Z-Leu-OH 

Downstream Products

• 228557-26-4 benzyl N-[1-(aminomethyl)-3-methyl-butyl]carbamate 
• 1058148-73-4 C₁₄H₂₁N₃O₃ 
• 17330-32-4 (R)-2-((S)-1-benzyloxycarbonylamino-3-methyl-butyl)-4,5-dihydro-thiazole-4-carboxylic acid ethyl ester 
• 944914-07-2 (4S,5S)-4-(2-hydroxyethyl)-5-(2-methylpropyl)-1-phenylmethyl-imidazolidin-2-one 
• 944913-92-2 (S)-1-benzyl-4-[(Z)-tert-butyloxycarbonylmethylidene]-5-(2-methylpropyl)-imidazolidin-2-one 
• 944913-88-6 (S)-2-(N-benzyl-N-benzyloxycarbonylamino)-isohexanonitrile 

Relevant articles and documents

β,γ-Diamino acid: An original building block for hybrid α/γ-peptide synthesis with extra hydrogen bond donating group

Using a β,γ-diamino acid, several small hybrid α/γ peptides have been synthesized and their conformations investigated through extensive NMR studies and molecular dynamics. A tripeptide and a tetrapeptide have thus shown several hydrogen bonds in solution, including a 13-membered ring involving the β-nitrogen.

N-urethane-protected amino alkyl isothiocyanates: Synthesis, isolation, characterization, and application to the synthesis of thioureidopeptides

(Chemical Equation Presented) Synthetically useful N-Fmoc amino-alkyl isothiocyanates have been described, starting from protected amino acids. These compounds have been synthesized in excellent yields by thiocarbonylation of the monoprotected 1,2-diamines with CS2/TEA/p-TsCl, isolated as stable solids, and completely characterized. The procedure has been extended to the synthesis of amino alkyl isothiocyanates from Boc- and Z-protected amino acids as well. The utility of these isothiocyanates for peptidomimetics synthesis has been demonstrated by employing them in the preparation of a series of dithioureidopeptide esters. Boc-Gly-OH and Boc-Phe-OH derived isothiocyanates 9a and 9c have been obtained as single crystals and their structures solved through X-ray diffraction. They belong to the orthorhombic crystal system, and have a single molecule in the asymmetric unit (Z′ = 1). 9a crystallizes in the centrosymmetric space group Pbca, while 9c crystallizes in the noncentrosymmetric space group P212121.

Microwave-assisted one-pot tandem reactions for direct conversion of primary alcohols and aldehydes to triazines and tetrazoles in aqueous media

(Chemical Equation Presented) A series of primary alcohols and aldehydes were treated with iodine in ammonia water under microwave irradiation to give the intermediate nitriles, which without isolation underwent [2 + 3] cycloadditions with dicyandiamide and sodium azide to afford high yields of the corresponding triazines and tetrazoles, including the α-amino- and dipeptidyl tetrazoles in high optical purity.