2749-93-1

Basic information

• Product Name: Benzene, 1-methyl-4-(1-propynyl)- (9CI)
• Synonyms: Benzene, 1-methyl-4-(1-propynyl)- (9CI);1-(1-Propynyl)-4-methylbenzene;1-(4-Methylphenyl)-1-propyne;1-Methyl-4-(1-propynyl)benzene;1-methyl-4-prop-1-ynylbenzene;1-methyl-4-prop-1-ynyl-benzene;Benzene, 1-Methyl-4-(1-propyn-1-yl)-
• CAS NO: 2749-93-1
• Molecular Formula: C₁₀H₁₀
• Molecular Weight: 130.1864
• Mol File: 2749-93-1.mol
• Article Data: 31

Chemical Properties

• Melting Point: 70 °C
• Boiling Point: 200.6°Cat760mmHg
• Flash Point: 71.3°C
• Appearance: /
• Density: 0.93g/cm³
• Vapor Pressure: 0.456mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: Benzene, 1-methyl-4-(1-propynyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-4-(1-propynyl)- (9CI)(2749-93-1)
• EPA Substance Registry System: Benzene, 1-methyl-4-(1-propynyl)- (9CI)(2749-93-1)

Safety Data

• Hazardous Substances Data: 2749-93-1(Hazardous Substances Data)

Usage

General Description

Benzene, 1-methyl-4-(1-propynyl)- (9CI) is a chemical compound with the molecular formula C11H10. It is a derivative of benzene with a propynyl group attached at the 1-position and a methyl group at the 4-position. Benzene, 1-methyl-4-(1-propynyl)- (9CI) is commonly used in the synthesis of pharmaceuticals and organic compounds. It is a flammable liquid with a strong odor and is considered to be a hazardous chemical due to its potential to cause harm to human health and the environment. Benzene, 1-methyl-4-(1-propynyl)- (9CI) is also known for its potential carcinogenic properties, and exposure to this compound should be minimized and handled with proper safety precautions.

InChI:InChI=1/C10H10/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,1-2H3

Upstream product

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• 452335-62-5 1-(1,1-dibromoprop-1-en-2-yl)-4-methylbenzene 
• 1245898-28-5 1-(1,1-diiodoprop-1-en-2-yl)-4-methylbenzene 
• 122-00-9 para-methylacetophenone 

Downstream Products

• 2077-29-4 (Z)-1-(4-tolyl)-1-propene 
• 69645-19-8 C₁₂H₁₁⁽²⁾HO₂ 
• 1443215-58-4 3-oxo-3-(p-tolyl)prop-1-en-2-yl acetate 
• 99-94-5 p-Toluic acid 
• 1588773-25-4 1-methyl-2-(p-tolyl)-3H-pyrrolo[1,2-a]indol-3-one 
• 1588773-59-4 (E)-N,N-dimethyl-2-(1-(p-tolyl)prop-1-en-2-yl)-1H-indole-1-carboxamide-1-carboxamide 

Relevant articles and documents

Palladium-catalyzed allylation of tautomerizable heterocycles with alkynes

A method for the allylic amidation of tautomerizable heterocycles was developed by a palladium catalyzed allylation reaction with 100% atom economy. A series of structurally diverse N-allylic substituted heterocycles can be synthesized in good yields with high chemo-, regio-, and stereoselectivities under mild conditions.

Regio- And stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides

An electrooxidative direct difunctionalization of internal alkynes with sulfonyl hydrazides has been developed for the construction of sulfonated enethers. In this transformation, metal catalysts or stoichiometric amount of oxidants are not required and molecular nitrogen and hydrogen are the sole byproducts, providing a simple and green approach for preparing various sulfonyl tetrasubstituted alkenes. Notably, the protocol could be efficiently scaled up and the follow-up procedures of the corresponding functionalized alkenes demonstrate the practicality of the electrochemical synthesis.

Rh-Catalyzed Asymmetric Hydrogenation of α,β- and β,β-Disubstituted Unsaturated Boronate Esters

A highly enantioselective hydrogenation of α,β-unsaturated boronate esters catalyzed by Rh-(S)-DTBM-Segphos complex has been developed. Both (Z)-α,β- and β,β-disubstituted substrates can be successfully hydrogenated to afford chiral boronates with excellent enantioselectivities, up to 98 % ee. Furthermore, the obtained chiral boronate esters, as important versatile synthetic intermediates are successfully transformed to the corresponding chiral alcohols, amines and other important derivatives with maintained enantioselectivities.