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Benzene, (1-isocyanato-1-methylethyl)-, also known as 1-isocyanato-1-methylethylbenzene or 1-(phenylmethyl)-1-isocyanatoethane, is an organic compound with the chemical formula C10H11NO. It is a colorless liquid with a pungent odor and is used as a chemical intermediate in the production of polyurethane foams, coatings, and elastomers. Benzene, (1-isocyanato-1-methylethyl)- is a derivative of benzene, featuring an isocyanate group (-NCO) attached to a methyl group, which is in turn connected to a benzene ring. Due to the presence of the isocyanate group, it is highly reactive and can form strong covalent bonds with various substrates, making it a valuable component in the synthesis of various polymers and materials. However, it is also a hazardous substance and should be handled with care due to its potential health risks and environmental impact.

4747-74-4

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4747-74-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4747-74-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,4 and 7 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 4747-74:
(6*4)+(5*7)+(4*4)+(3*7)+(2*7)+(1*4)=114
114 % 10 = 4
So 4747-74-4 is a valid CAS Registry Number.

4747-74-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-isocyanatopropan-2-ylbenzene

1.2 Other means of identification

Product number -
Other names 1-Methyl-1-phenylethyl isocyanate

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:4747-74-4 SDS

4747-74-4Relevant academic research and scientific papers

Palladium(II)-Catalyzed C(sp2)-H Carbonylation of Sterically Hindered Amines with Carbon Monoxide

Cheng, Xiu-Fen,Wang, Tao,Li, Yan,Wu, Yun,Sheng, Jie,Wang, Rui,Li, Chao,Bian, Kang-Jie,Wang, Xi-Sheng

supporting information, p. 6530 - 6533 (2018/10/20)

A palladium-catalyzed, amine-directed C(sp2)-H carbonylation of α,α-disubstituted benzylamine under 1 atm of CO for the facile synthesis of sterically hindered benzolactam has been developed. The key to success is the use of 2,2,6,6-tetramethyl-1-piperidinyloxy as the crucial sole oxidant. The synthetic utility of this transformation has been demonstrated by the first concise synthesis of the natural product spiropachysin-20-one.

A Copper-Catalyzed Aerobic [1,3]-Nitrogen Shift through Nitrogen-Radical 4-exo-trig Cyclization

Li, Yan,Wang, Rui,Wang, Tao,Cheng, Xiu-Fen,Zhou, Xin,Fei, Fan,Wang, Xi-Sheng

supporting information, p. 15436 - 15440 (2017/11/01)

A novel radical [1,3]-nitrogen shift catalyzed by copper diacetate under an oxygen atmosphere (1 atm) has been developed for the construction of a diverse range of indole derivatives from α,α-disubstituted benzylamine. In this reaction, oxygen was used as a clean terminal oxidant, and water was produced as the only by-product. Five inert bonds were cleaved, and two C?N bonds and one C?C double bond were constructed in one pot during this transformation. This unique method demonstrated broad application protential for the late-stage modification of biologically active natural products and drugs. Mechanistic investigations indicate that a unique 4-exo-trig cyclization of an aminyl radical onto a phenyl ring is involved in the catalytic cycle.

PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES

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Page/Page column 13, (2012/09/22)

A compound having the structure useful for treating hypertension, Pulmonary Arterial Hypertension (PAH), congestive heart failure, conditions resulting from excessive water retention, cardiovascular disease, diabetes, oxidative stress, endothelial dysfunction, cirrhosis, pre-eclampsia, osteoporosis or nephropathy.

3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE

-

, (2009/07/18)

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid amide (collectively referred to herein as 3TM compounds). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative disorders such as cancer, etc., and methods of preparing such compounds.

Carbonyldiimidazole-mediated lossen rearrangement

Dube, Pascal,Fine Nathel, Noah F.,Vetelino, Michael,Couturier, Michel,Aboussafy, Claude Larrivee,Pichette, Simon,Jorgensen, Matthew L.,Hardink, Mark

supporting information; experimental part, p. 5622 - 5625 (2010/03/02)

[Chemical Equation Presented] Carbonyldiimidazole (CDI) was found to mediate the Lossen rearrangement of various hydroxamic acids to isocyanates. This process is experimentally simple and mild, with imidazole and CO 2 being the sole stoichiometric byproduct. Significant for large-scale application, the method avoids the use of hazardous reagents and thus represents a green alternative to standard processing conditions for the Curtius and Hofmann rearrangements.

PROLINE UREA CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION

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Page/Page column 42, (2008/06/13)

Compounds of the formulae (I) and (II) are disclosed. The compounds are CCRl antagonists which are useful for the treatment and prevention of inflammatory and autoimmune diseases. Other embodiments are also disclosed.

4,5 Dihydro-(1H)-Pyrazole Derivatives as Cannabinoid CB1 Receptor Modulators

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Page/Page column 13, (2009/01/24)

The invention is directed to 4,5-dihydro-(1H)-pyrazole (pyrazoline) derivatives as cannabinoid CB1 receptor modulators, to pharmaceutical compositions comprising these compounds, to methods for their syntheses, to methods for preparing novel intermediates useful for their syntheses, and to methods for preparing compositions. The invention also relates to the uses of compounds and compositions administered to patients to achieve a therapeutic effect in multiple sclerosis, traumatic brain injury, pain including chronic pain, neuropathic pain, acute pain and inflammatory pain, osteoporosis, appetite disorders, epilepsy, Alzheimer's disease, Tourette's syndrome, cerebral ischaemia, emesis, nausea, and gastrointestinal disorders. Compounds of the present disclosure are directed to formula (I): wherein the substituents have the definitions given in the specification.

4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators

-

Page/Page column 16, (2010/11/27)

This invention is directed to 4,5-dihydro-(1H)-pyrazole(pyrazoline) derivatives as cannabinoid CB1 receptor modulators, to pharmaceutical compositions containing these compounds, to methods for the preparation of these compounds, methods for pr

Manipulation of N,O-nucleophilicity: Efficient formation of 4-N-substituted 2,4-dihydro-3H-1,2,4-triazolin-3-ones

Huang, Xianhai,Palani, Anandan,Xiao, Dong,Aslanian, Robert,Shih, Neng-Yang

, p. 4795 - 4798 (2007/10/03)

(Chemical Equation Presented) A new efficient two-step synthesis of 2,4-dihydro-3H-1,2,4-triazolin-3-ones (triazolinones) from readily available amines is reported. Our novel conditions using hexamethyl disilazane, bromotrimethylsilane, and a catalytic amount of ammonium sulfate smoothly cyclize 1-formyl and 1-acetyl semicarbazides to the target triazolinones. This transformation features simultaneous manipulation of N- and O-nucleophilicity as well as differentiation of the nucleophilicity of a urea and an acyl carbonyl.

Preparation of tertiary alkyl isocyanates

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, (2008/06/13)

A process for the production of tertiary alkyl isocyanates, such as tetramethylxylylene diisocyanate, is disclosed in which the corresponding tertiary alkyl halide is reacted with an alkali metal cyanate in the presence of water in an amount between 0.02

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