1885-35-4

Basic information

• Product Name: 3,4,5-Trimethoxybenzonitrile
• Synonyms: 3,4,5-Trimethoxybenzonitrile, 97+%;Benzonitrile, 3,4,5-trimethoxy-;3,4,5-TRIMETHOXYBENZONITRILE 98+%;3,4,5-Trimethoxybenz;5-TriMethoxybenzonitrile;3,4,5-TriMethoxybenzonitrile;3,4,5-Trimethoxybenzenecarbonitrile;3,4,5-trimethoxy-benzonitril
• CAS NO: 1885-35-4
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.2
• EINECS: 217-550-4
• Product Categories: Aromatic Nitriles;C10 to C27;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 1885-35-4.mol
• Article Data: 92

Chemical Properties

• Melting Point: 91-94 °C(lit.)
• Boiling Point: 180-185 °C10 mm Hg(lit.)
• Flash Point: 180-185°C/10mm
• Appearance: White to beige powder
• Density: 1.2307 (rough estimate)
• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 979686
• CAS DataBase Reference: 3,4,5-Trimethoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-Trimethoxybenzonitrile(1885-35-4)
• EPA Substance Registry System: 3,4,5-Trimethoxybenzonitrile(1885-35-4)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-21/22
• Safety Statements: 26-37/39-36/37
• RIDADR: 3276
• WGK Germany: 3
• RTECS: DI4965000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1885-35-4(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO BEIGE POWDER

InChI:InChI=1/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3

Upstream product

• 63452-43-7 1-phenyl-2-(3,4,5-trimethoxybenzylidene)hydrazine 
• 557-21-1 zinc(II) cyanide 
• 18168-86-0 methyl(3,4,5-trimethoxyphenyl)sulfide 
• 100-47-0 benzonitrile 
• 100-68-5 methyl-phenyl-thioether 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 14906-59-3 4-cyanopyridine N-oxide 
• 2675-79-8 1-bromo-3,4,5-trimethoxybenzene 
• 75921-68-5 1,2,3-trimethoxy-5-(methoxymethyl)benzene 
• 5807-02-3 4-morpholinoacetonitrile 
• 4521-61-3 3,4,5-Trimethoxybenzoyl chloride 
• 42543-45-3 3,4,5-trimethoxybenzoyl azide 
• 25245-29-8 5-iodo-1,2,3-trimethoxybenzene 
• 119072-55-8 tert-butylisonitrile 

Downstream Products

• 131110-86-6 1-(3,4,5-trimethoxyphenyl)propylenemalononoitrile 
• 873380-96-2 1-(4-hydroxy-3,5-dimethoxy-phenyl)-3-methyl-butan-1-one 
• 1136-86-3 methyl (3,4,5-trimethoxyphenyl) ketone 
• 5650-43-1 1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one 
• 55100-33-9 N-methyl-3,4,5-trimethoxybenzamide 
• 25276-19-1 4-Fluor-3',4',5'-trimethoxy-benzophenon-ketimin 
• 91759-55-6 5-(3',4',5'-trimethoxyphenyl)tetrazole 
• 60987-94-2 3,4,5-trimethoxythiobenzamide 
• 135358-79-1 10-(4'-fluorobenzyl)-2-(N,N-diisopropylamino)phenothiazine 
• 135358-90-6 [10-(4-Fluoro-benzyl)-10H-phenothiazin-2-yl]-(3,4,5-trimethoxy-phenyl)-acetonitrile 
• 135358-96-2 1-cyano-10-(4'-fluorobenzyl)-2-(3',4',5'-trimethoxybenzyl)phenothiazine 
• 99878-45-2 4-(3,4,5-trimethoxybenzoyl)pyridine 
• 4156-61-0 3,4,5-trimethoxybenziminoethylether hydrochloride 
• 135358-92-8 10-benzyl-1-cyano-2-(3',4',5'-trimethoxybenzyl)phenothiazine 

Relevant articles and documents

Erratum: Copper-mediated cyanation of indoles and electron-rich arenes using DMF as a single surrogate (Org. Biomol. Chem. (2015) 13 (8322-8329))

Correction for 'Copper-mediated cyanation of indoles and electron-rich arenes using DMF as a single surrogate' by Lianpeng Zhang et al., Org. Biomol. Chem., 2015, 13, 8322-8329.

Zinc chloride-catalyzed expeditious route to nitriles

Zinc chloride has been found to be an excellent catalyst for a one-pot synthesis of nitriles from araldehydes and hydroxylammonium chloride under solvent-free conditions. The features of the present method are short reaction time, easy workup procedure, and good yields of the nitriles.

Nickel-Catalyzed Reversible Functional Group Metathesis between Aryl Nitriles and Aryl Thioethers

We describe a new functional group metathesis between aryl nitriles and aryl thioethers. The catalytic system nickel/dcype is essential to achieve this fully reversible transformation in good to excellent yields. Furthermore, the cyanide- and thiol-free reaction shows high functional group tolerance and great efficiency for the late-stage derivatization of commercial molecules. Finally, synthetic applications demonstrate its versatility and utility in multistep synthesis.

Method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by Ru coordination compound

The invention discloses a method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by a Ru coordination compound. The method comprises: adding a Ru coordination compound, an alkali, a primary amine and an organic solvent into a reaction test tube according to a mol ratio of 1:100:(100-500):1000-3000, and carrying out a stirring reaction under the condition of 80 to120 DEG C; and when gas chromatography monitors that the raw materials completely disappear, stopping the reaction, collecting the reaction solution, centrifuging the reaction solution, taking the supernatant, extracting with dichloromethane, merging the organic phases, drying, filtering, evaporating the organic solvent under reduced pressure to obtain a filtrate, and carrying out column chromatography purification on the filtrate to obtain the target product nitrile. According to the invention, the catalyst is good in activity, single in catalytic system, good in product selectivity, simple in subsequent treatment and good in system universality after the reaction is finished, has a good catalytic effect on various aryl, alkyl and heteroaryl substituted primary amines, and also has a gooddehydrogenation performance on secondary amines.