35167-81-8

Basic information

• Product Name: 3 4-DIMETHOXYPHENETHYL ISOCYANATE 97
• Synonyms: 3 4-DIMETHOXYPHENETHYL ISOCYANATE 97;3,4-Dimethoxyphenethyl isocyanate 97%
• CAS NO: 35167-81-8
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.228
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 35167-81-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 295-296 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.1370 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000786mmHg at 25°C
• Refractive Index: n20/D 1.5360(lit.)
• CAS DataBase Reference: 3 4-DIMETHOXYPHENETHYL ISOCYANATE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3 4-DIMETHOXYPHENETHYL ISOCYANATE 97(35167-81-8)
• EPA Substance Registry System: 3 4-DIMETHOXYPHENETHYL ISOCYANATE 97(35167-81-8)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36
• WGK Germany: 3
• Hazardous Substances Data: 35167-81-8(Hazardous Substances Data)

Usage

General Description

3 4-DIMETHOXYPHENETHYL ISOCYANATE 97 is a chemical compound used in the production of various polymers and resins. It is highly reactive and can cause severe irritation to the skin, eyes, and respiratory system upon contact or inhalation. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Proper handling and safety precautions are necessary when working with this substance to prevent exposure and potential health hazards.

InChI:InChI=1/C11H13NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7H,5-6H2,1-2H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 120-20-7 2-(3,4-dimethoxyphenyl)-ethylamine 
• 98062-25-0 tert-butyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate 
• 88368-71-2 3-(3,4-dimethoxyphenyl)propionic acid hydrazide 
• 27798-73-8 methyl 3-(3,4-dimethoxyphenyl)propionate 
• 2107-70-2 3,4-methoxycinnamic acid 
• 51842-87-6 3-(3,4-dimethoxy-phenyl)-propionyl chloride 
• 75-44-5 phosgene 
• 35424-92-1 3,4-Dimethoxyphenaethylamin(TMS) 
• 21997-97-7 3-(3,4-dimethoxy-phenyl)-propionyl azide 

Downstream Products

• 700855-80-7 N-(3,4-dimethoxy-phenethyl)-N'-m-tolyl-urea 
• 859195-16-7 (6,7-dimethoxy-3,4-dihydro-[1]isoquinolyl)-methyl-phenyl-amine 
• 39052-32-9 6,7-Dimethoxy-1-[(E)-phenylimino]-1,2,3,4-tetrahydroisochinolin 
• 39052-30-7 (6,7-dimethoxy-3,4-dihydro-2H-[1]isochinolyLiDene)-p-tolyl-amine 
• 39052-28-3 (6,7-dimethoxy-3,4-dihydro-2H-[1]isochinolyLiDene)-m-tolyl-amine 
• 1138412-57-3 ethyl 5-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-4-carboxylate 
• 493-49-2 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one 
• 6514-05-2 6,7-dimethoxy-N-methyl-2H-3,4-dihydroisoquinolin-1-one 
• 67616-08-4 N'-phenyl-N-<2-(3,4-dimethoxyphenyl)ethyl>urea 
• 5467-91-4 1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]urea 
• 120-20-7 2-(3,4-dimethoxyphenyl)-ethylamine 
• 25017-47-4 N-<2-(3,4-dimethoxyphenylethyl)>urea 

Relevant articles and documents

Asymmetric synthesis of O-methylneferine

Diastereoselective Pictet-Spengler reaction of 2-arylethylamine bearing an N-(R)-1-(1-naphthyl)ethylcarbamoyl group with arylacetaldehyde gave 1-benzyltetrahydroisoquinoline in good yield with moderate diastereoselectivity. The reaction was applied to asymmetric synthesis of O-methyl derivative of neferine, an alkaloid of the lotus embryo, Nelumbo nucifera Gaertner.

Synthesis of 3,4-dihydroisoquinolin-1-ones from N-Boc-(β-Arylethyl) carbamates via isocyanate intermediates

Mild reaction conditions for the regioselective synthesis of isoquinolin-1-ones and related fused-ring heterocycles from N-Boc-protected (β-arylethyl)carbamates are described. The reactions involved the use of Tf2O and 2-chloropyridine and isocyanates are likely to be key intermediates. The method was extended to substrates bearing less nucleophilic aryl moieties by using Lewis acid additives, such as BF3· Et2O, to enhance the Friedel-Crafts-type cyclization of the isocyanate intermediates. This method allowed the synthesis of various substituted isoquinolin-1-ones, β-carbolines, thiophene-fused ring systems and tetrahydrobenzoazepin-1-ones in good yields and with high regioselectivities. Copyright

Efficient synthesis of tetrahydro-b-carbolin-1-one and dihydroisoquinolin- 1-one derivatives as versatile Intermediates

An efficient one-pot procedure is described in which an isocyanate intermediate, generated from the corresponding carboxylic acid by a modified Curtius rearrangement, is captured by a tethered aromatic ring in the presence of BF3?OEt2 to generate various