1124-18-1

Basic information

• Product Name: TOLUENE (METHYL-D3)
• Synonyms: TOLUENE (METHYL-D3);TOLUENE-ALPHA,ALPHA,ALPHA-D3;Benzene, trideureromethyl-;Benzene,methyl-d3-;Toluene-D3;Toluene-alpha,alpha,alpha-d3, 99 atom % D;methyl-d3-benzene;(2H3)Methylbenzene
• CAS NO: 1124-18-1
• Molecular Formula: C₇H₈
• Molecular Weight: 95.16
• Mol File: 1124-18-1.mol
• Article Data: 14

Chemical Properties

• Melting Point: -93 °C(lit.)
• Boiling Point: 110 °C(lit.)
• Flash Point: 40 °F
• Appearance: /
• Density: 0.895 g/mL at 25 °C
• Vapor Pressure: 27.7mmHg at 25°C
• Refractive Index: n20/D 1.496(lit.)
• CAS DataBase Reference: TOLUENE (METHYL-D3)(CAS DataBase Reference)
• NIST Chemistry Reference: TOLUENE (METHYL-D3)(1124-18-1)
• EPA Substance Registry System: TOLUENE (METHYL-D3)(1124-18-1)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-38-48/20-63-65-67
• Safety Statements: 36/37-46-62
• RIDADR: UN 1294 3/PG 2
• WGK Germany: 1
• Hazardous Substances Data: 1124-18-1(Hazardous Substances Data)

Usage

General Description

Toluene (methyl-D3) is a stable isotopic form of toluene, which is a common solvent and industrial chemical. It is a colorless, water-insoluble liquid with a sweet, pungent odor. Toluene (methyl-D3) is used in the production of various products such as paints, coatings, adhesives, and inks. It is also used as a fuel additive and in the manufacturing of explosives, pharmaceuticals, and dyes. Toluene (methyl-D3) is considered to be a hazardous substance, and prolonged exposure can cause a range of health issues, including nervous system damage, respiratory irritation, and potential carcinogenic effects.

InChI:InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3

Upstream product

• 1111-88-2 Trideutero-methylbromid 
• 591-51-5 phenyllithium 
• 51271-29-5 [1',1'-2H₂]benzyl bromide 
• 865-50-9 iodomethane-d3 
• 98-07-7 Benzotrichlorid 
• 108-88-3 toluene 
• 93-89-0 benzoic acid ethyl ester 
• 21175-64-4 1,1-dideuteriophenylmethanol 
• 3306-62-5 2-AMINOBENZENESULFONAMIDE 
• 28144-70-9 anthranilic acid amide 
• 100-51-6 benzyl alcohol 
• 35710-05-5 N-benzylisatoic anhydride 
• 74-89-5 methylamine 
• 118-48-9 isatoic anhydride 

Downstream Products

• 109339-64-2 4-trideuteriomethyl-benzophenone 
• 2154-54-3 benzyl α-d2 radical 
• 51271-29-5 [1',1'-2H₂]benzyl bromide 
• 34557-54-5 methane 
• 71-43-2 benzene 
• 120410-76-6 P(C₆H₅)3*P(C₆H₅)2(C₆H₄D)*Ir⁽³⁺⁾*2H^(1-)*2HC(O)N(CH₃)2=(P(C₆H₅)3)(P(C₆H₅)2(C₆H₄D))IrH₂(HC(O)N(CH₃)2)2⁽¹⁺⁾ 
• 110535-16-5 4-trideuteriomethyl-trityl chloride 
• 108757-37-5 acetic acid-(4-trideuteriomethyl-anilide) 
• 6922-84-5 Diphenyl-(4-trideuteriomethyl-phenyl)-methanol 
• 42903-81-1 C₇H₁₁⁽²⁾H₃⁽¹⁺⁾ 

Relevant articles and documents

Direct Use of Benzylic Alcohols for Multicomponent Synthesis of 2-Aryl Quinazolinones Utilizing the π-Benzylpalladium(II) System in Water

We demonstrate the direct use of benzylic alcohols for a multicomponent reaction of readily available isatoic anhydrides with amines in water, which is a synthetic route for the direct construction of a series of 2-aryl quinazolinones. This one-pot synthetic method involves the dehydrative N-benzylation of in situ generated anthranilamides followed by an amide-directed benzylic C?H amination process utilizing the π-benzylPd(II) system. Comparison of independent rate measurements using benzyl alcohol and its deuterated form gave a kinetic isotope effect of 3.5. Therefore, the benzylic C?H bond is cleaved in the rate-determining step. We successfully carried out a gram-scale reaction in 85% yield with simplified product isolation. (Figure presented.).

Method for catalytic conversion of cyano group into deuterated methyl, prepared aromatic deuterated methyl compound and application of compound

The invention provides a method for catalytic conversion of a cyano group into deuterated methyl, a prepared aromatic deuterated methyl compound and an application of the compound. The method comprises the steps as follows: an aromatic cyano compound reacts to produce the aromatic deuterated methyl compound under the action of a metal catalyst with deuterium gas serving as a deuterium source. The cyano group is directly catalyzed into deuterated methyl with the deuterium gas serving as the deuterium source, the operation is simple, the raw material is cheap and easy to obtain, the reaction yield is high, the product deuteration rate is high, and the method can be applied to mass production. The prepared aromatic deuterated methyl compound can be used as a deuterated medicine or can be used for preparation of a deuterated medicine or deuterated medicine composition, and the pharmacokinetics, pharmacodynamics or metabolism toxicity of the medicine can be reduced while the medicine molecular activity is kept unchanged basically.

N-benzylation/benzylic C-H amidation cascade by the (ζ3- Benzyl)palladium system in aqueous media: An effective pathway for the direct construction of 3-phenyl-3,4-dihydro-(2H)-1,2,4-benzothiadiazine 1,1-dioxides

We demonstrate a unique strategy for a benzylation/benzylic C-H amidation cascade reaction by the (ζ3-benzyl)palladium system derived from a palladium catalyst and benzyl alcohol. This tandem process is devised as a new synthetic route for 3-phenyl-3,4-dihydro-(2H)-1,2,4-benzothiadiazine-1,1- dioxide. Water plays an important role for the smooth generation of the (ζ3-benzyl)palladium species, and a bis-benzylated Pd(II) intermediate would be formed in our catalytic system. Atom economical processes such as benzylic C-H activation, cascade reactions and chemoselective reactions in aqueous media have been developed.