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TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE is an organic compound with the chemical formula C10H16N2O2S. It is a pale yellow solid and is known for its use in the synthesis of various organic compounds.

137743-46-5

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137743-46-5 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE is used as a synthetic intermediate for the production of 2-alkylamino-1-imidazolines, which are important compounds in the pharmaceutical industry. These imidazolines have potential applications as therapeutic agents, particularly in the treatment of various medical conditions.
Used in Chemical Synthesis:
In the field of organic chemistry, TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE serves as a key building block for the synthesis of a wide range of organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique chemical structure allows for various reactions and modifications, making it a versatile compound in chemical synthesis.
Chemical Properties:
TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE is a pale yellow solid with distinct chemical properties that make it suitable for use in various applications. Its isothiocyanatoethyl group and carbamate functionality contribute to its reactivity and synthetic utility in the preparation of different organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 137743-46-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,7,7,4 and 3 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 137743-46:
(8*1)+(7*3)+(6*7)+(5*7)+(4*4)+(3*3)+(2*4)+(1*6)=145
145 % 10 = 5
So 137743-46-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H14N2O2S/c1-8(2,3)12-7(11)10-5-4-9-6-13/h4-5H2,1-3H3,(H,10,11)

137743-46-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name TERT-BUTYL N-(2-ISOTHIOCYANATOETHYL)CARBAMATE

1.2 Other means of identification

Product number -
Other names BOC-2-ISOTHIOCYANATOETHYLAMINE

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:137743-46-5 SDS

137743-46-5Relevant academic research and scientific papers

Manipulating the Stoichiometry and Strength of Phosphodiester Binding to a Bisguanidine Cleft in DMSO/Water Solutions

Ariga, Katsuhiko,Anslyn, Eric V.

, p. 417 - 419 (1992)

A cleft with two aminoimidazoline groups preorganized to form a V-shaped cavity was found to bind dibenzyl phosphate in mixtures of DMSO and water.

T3P - A Benign Desulfurating Reagent in the Synthesis of Isothiocyanates

Janczewski, ?ukasz,Gajda, Anna,Frankowski, Sebastian,Goszczyński, Tomasz M.,Gajda, Tadeusz

, p. 1141 - 1151 (2017/12/06)

A number of alkyl, aryl and bifunctional isothiocyanates are obtained in moderate to high yields (41-94%) in a two-step, one-pot reaction of the parent primary amines or their salts with carbon disulfide, followed by reaction of the thus formed dithiocarbamates with T3P (propane phosphonic acid anhydride) as a new and efficient desulfurating agent.

Versatile synthesis of 2′-amino-2′-deoxyuridine derivatives with a 2′-amino group carrying linkers possessing a reactive terminal functionality

Gondela, Andrzej,Tomczyk, Mateusz D.,Przypis, ?ukasz,Walczak, Krzysztof Z.

, p. 5626 - 5632 (2016/08/17)

2,2′-Anhydrouridine has been successfully converted into the appropriate 2′-amino-2′-deoxyuridine derivatives in a reaction with isothiocyanates obtained from amino acids or α,ω-diaminoalkanes. The initially formed oxazolidine-2-thione ring is cleaved under basic conditions into the corresponding 2′-amino(substituted)-2′-deoxyuridine derivatives. The implemented additional terminal functionality in the substituent attached to the 2′-amino group allows further modifications with e.g., fluorophore moiety.

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

Sureshbabu, Vommina V.,Naik, Shankar A.,Hemantha,Narendra,Das, Ushati,Guru Row, Tayur N.

supporting information; experimental part, p. 5260 - 5266 (2009/12/06)

(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.

A new efficient synthesis of isothiocyanates from amines using di-tert-butyl dicarbonate

Munch, Henrik,Hansen, Jon S.,Pittelkow, Michael,Christensen, J?rn B.,Boas, Ulrik

, p. 3117 - 3119 (2008/09/20)

Alkyl and aryl amines are converted smoothly to the corresponding isothiocyanates via the dithiocarbamates in good to excellent yields using di-tert-butyl dicarbonate (Boc2O) and 1-3 mol % of DMAP or DABCO as catalyst. As most of the byproducts are volatile, the work-up involves simple evaporation of the reaction mixture.

Bis(alkylguanidinium) receptors for phosphodiesters: Effect of counterions, solvent mixtures, and cavity flexibility on complexation

Kneeland, Diane M.,Ariga, Katsuhiko,Lynch, Vincent M.,Huang, Chia-Yu,Anslyn, Eric V.

, p. 10042 - 10055 (2007/10/02)

Four bis(guanidinium) receptors have been synthesized in which the guanidinium groups are spatially preorganized by an octahydroacridine (meso-3 and d,l-3) or hexahydrodicyclopenta[b,e]pyridine (meso-4 and d,l-4) spacer to complement a phosphodiester. The

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