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

• 75159-10-3 N-(4-methylbenzylidene)-p-toluenesulfonamide 
• 75-20-7 calcium carbide 
• 766-97-2 4-n-methylphenylacetylene 
• 590-93-2 2-Butynoic acid 
• 106-38-7 para-bromotoluene 
• 30342-96-2 1-methyl-4-(prop-2-yn-1-yl)benzene 
• 5633-34-1 (benzoylmethylene)dimethylsulfurane 
• 122-00-9 para-methylacetophenone 
• 5337-93-9 4'-methylpropiophenone 
• 65114-80-9 1-(4-Methylphenyl)-1,1-dichlorethan 
• 74-88-4 methyl iodide 
• 74-99-7 prop-1-yne 
• 126065-83-6 1,2-dichloro-1-(4-metylphenyl)propene 
• 75-11-6 diiodomethane 

Downstream Products

• 2077-29-4 (Z)-1-(4-tolyl)-1-propene 
• 2789-88-0 1,2-bis(4-methylphenyl)acetylene 
• 1174033-41-0 1,2-[(η5-cyclopentadienyl)2ZrC(4-tolyl)=C(Me)]-1,2-C2B10H10 
• 1217436-05-9 (Z)-2-(1-(p-tolyl)prop-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 1384956-18-6 (E)-7-(1-p-tolylprop-1-en-2-yl)-[1,2,3]triazolo[1,5-a]pyridine 
• 1384956-19-7 C₁₆H₁₅N₃ 
• 28129-15-9 2-hydroxyethyl 4-methylbenzoate 
• 5337-93-9 4'-methylpropiophenone 
• 73496-70-5 (Z)-1-Chlor-1-(4-methylphenyl)-1-propen 
• 73496-69-2 (E)-1-Chlor-1-(4-methylphenyl)-1-propen 

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.

Enantioselective Addition of α-Nitroesters to Alkynes

By using Rh–H catalysis, we couple α-nitroesters and alkynes to prepare α-amino-acid precursors. This atom-economical strategy generates two contiguous stereocenters, with high enantio- and diastereocontrol. In this transformation, the alkyne undergoes isomerization to generate a RhIII–π-allyl electrophile, which is trapped by an α-nitroester nucleophile. A subsequent reduction with In powder transforms the allylic α-nitroesters to the corresponding α,α-disubstituted α-amino esters.

Palladium-catalyzed methylation of terminal alkynes

In this communication, a palladium-catalyzed procedure for the methylation of terminal alkynes has been developed. With N,N,N-trimethylbenzenaminium trifluoromethanesulfonate as the methyl source, various desired products were obtained in moderate to good yields. Both aromatic and aliphatic alkynes are applicable.