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Benzene, 1-(1,1-dimethylethyl)-2-isocyano- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

104876-31-5

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104876-31-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 104876-31-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,8,7 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 104876-31:
(8*1)+(7*0)+(6*4)+(5*8)+(4*7)+(3*6)+(2*3)+(1*1)=125
125 % 10 = 5
So 104876-31-5 is a valid CAS Registry Number.

104876-31-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-tert-butylphenyl isocyanide

1.2 Other means of identification

Product number -
Other names 1-tert-Butyl-2-isocyano-benzene

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:104876-31-5 SDS

104876-31-5Relevant academic research and scientific papers

Isocyanide 2.0

Ahmadian-Moghaddam, Maryam,D?mling, Alexander,Patil, Pravin

supporting information, p. 6902 - 6911 (2020/11/09)

The isocyanide functionality due to its dichotomy between carbenoid and triple bond characters, with a nucleophilic and electrophilic terminal carbon, exhibits unusual reactivity in organic chemistry exemplified for example in the Ugi reaction. Unfortunately, the over proportional use of only a few isocyanides hampers novel discoveries about the fascinating reactivity of this functional group. The synthesis of a broad range of isocyanides with multiple functional groups is lengthy, inefficient, and exposes the chemist to hazardous fumes. Here we present an innovative isocyanide synthesis overcoming these problems by avoiding the aqueous workup which we exemplify by parallel synthesis from a 0.2 mmol scale performed in 96-well microtiter plates up to a 0.5 mol multigram scale. The advantages of our methodology include an increased synthesis speed, very mild conditions giving access to hitherto unknown or highly reactive classes of isocyanides, rapid access to large numbers of functionalized isocyanides, increased yields, high purity, proven scalability over 5 orders of magnitude, increased safety and less reaction waste resulting in a highly reduced environmental footprint. For example, the hitherto believed to be unstable 2-isocyanopyrimidine, 2-acylphenylisocyanides and even o-isocyanobenzaldehyde could be accessed on a preparative scale and their chemistry was explored. Our new isocyanide synthesis will enable easy access to uncharted isocyanide space and will result in many discoveries about the unusual reactivity of this functional group. This journal is

Palladium-catalyzed intramolecular C(sp2)-H amidination by isonitrile insertion provides direct access to 4-aminoquinazolines from N-arylamidines

Wang, Yong,Wang, Honggen,Peng, Jiangling,Zhu, Qiang

, p. 4604 - 4607 (2011/10/12)

An efficient method for the synthesis of 4-amino-2-aryl(alkyl)quinazolines from readily available N-arylamidines and isonitriles via palladium-catalyzed intramolecular aryl C-H amidination by isonitrile insertion has been developed.

Screw Sense Selective Polymerization of Achiral Isocyanides Catalysed by Optically Active Nickel(II) Complexes

Kamer, Paul C. J.,Nolte, Roeland J. M.,Drenth, Wiendelt

, p. 6818 - 6825 (2007/10/02)

Poly(isocyanides), (RN=Cn, can be prepared from isocyanides, , by the catalytic action of nickel(II) compounds.The main chain of these polymers is a rigid helix.This helical conformation results from a restricted rotation around the single bonds that connect the main-chain carbon atoms.Polymerization of achiral isocyanides generally gives a racemic mixture of left- and right-handed helices, whereas polymerization of optically active isocyanides results in helices with an excess of one screw sense.We describe a procedure for obtaining poly(isocyanides) with predominantly one screw sense, starting from an achiral monomer.A catalyst is prepared by adding an optically active amine to a tetrakis(isocyanide)nickel(II) perchlorate complex.Polymerization of various achiral isocyanides with this catalist yields optically active polymers with an enantiomeric excess up to 83percent.

The Isonitrile-Nitrile Rearrangement. A Reaction without a Structure-Reactivity Relationship

Meier, Michael,Mueller, Barbara,Ruechardt, Christoph

, p. 648 - 652 (2007/10/02)

Reproducible rates of isomerisation of aliphatic isonitriles to nitriles in solution can be measured by GLC or IR when free-radical inhibitors are added to suppress a competing radical chain reaction.The reactivities of 19 primary, secondary, tertiary, cyclic, bicyclic, bridgehead, benzyl, substituted-benzyl, α-carbomethoxymethyl, and triphenylmethyl isocyanides in this rearrangement reaction vary by only a factor of 67 in rate or by +/- 2 kcal mol-1 in ΔG(excit.).This is explained by a tight hypervalent three-membered cyclic transition state in agreement with a previous prediction by ab initio calculation.The slower rate of 9-triptycyl isocyanide is proposed to be due to steric hindrance by the three peri hydrogens.Aromatic isocyanides isomerize about 10 times faster independent of polar para substituents and bulky ortho substituents.A hypervalent orthogonal transition state with retention of the aromatic sextet is proposed in contrast to the popular phenonium-type transition states for aryl migration in other 1,2-rearrangements.The reactivity data and the transition-state structures are discussed in context with other cationotropic 1,2-shifts.

Contributions to the Chemistry of Phosphorus, 173. - Synthesis and Properties of the Diphosphiranimines (tBuP)2C=NR (R = 2,4-tBu2C6H3, 2-tBuC6H4)

Baudler, Marianne,Simon, Joachim

, p. 421 - 424 (2007/10/02)

The reaction of K(tBu)P-P(tBu)K with isocyanide dichlorides yields the first diphosphiranimines (tBuP)2C=NR.Besides, the cyclophosphanes (tBuP)n (n = 3,4) and the two configurational isomers of the corresponding 1,3-diphosphetane-2,4-diimines are formed.N

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