2284-20-0

Basic information

• Product Name: 4-METHOXYPHENYL ISOTHIOCYANATE
• Synonyms: TIMTEC-BB SBB006547;P-METHOXYPHENYL ISOTHIOCYANATE;1-ISOTHIOCYANATO-4-METHOXYBENZENE;AKOS BBS-00004436;4-METHOXYPHENYL ISOTHIOCYANATE;4-ISOTHIOCYANATOANISOLE;ISOTHIOCYANIC ACID 4-METHOXYPHENYL ESTER;Benzene, 1-isothiocyanato-4-methoxy-
• CAS NO: 2284-20-0
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.21
• EINECS: 218-921-3
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates;Pyridines
• Mol File: 2284-20-0.mol
• Article Data: 130

Chemical Properties

• Melting Point: 18 °C(lit.)
• Boiling Point: 280-281 °C(lit.)
• Flash Point: >230 °F
• Appearance: clear yellow liquid after melting
• Density: 1.196 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00641mmHg at 25°C
• Refractive Index: n20/D 1.653(lit.)
• Storage Temp.: Store below +30°C.
• Water Solubility: It hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 606967
• CAS DataBase Reference: 4-METHOXYPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHOXYPHENYL ISOTHIOCYANATE(2284-20-0)
• EPA Substance Registry System: 4-METHOXYPHENYL ISOTHIOCYANATE(2284-20-0)

Safety Data

• Hazard Codes: C
• Statements: 34-42
• Safety Statements: 26-27-28-36-45
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• F: 10-19-21
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 2284-20-0(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid after melting

Uses

4-Methoxyphenyl isothiocyanate has been used in the synthesis of 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one and 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides.

InChI:InChI=1/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3

Upstream product

• 556-56-9 allyl iodid 
• 459-64-3 4-methoxybenzenediazonium tetrafluoroborate 
• 540-72-7 sodium thiocyanide 
• 463-71-8 thiophosgene 
• 20265-97-8 p-anisidine hydrochloride 
• 43009-18-3 4-methoxyphenyl dithiocarbamic acid triethylammonium 
• 15867-08-0 N-(p-methoxyphenyl)dithiocarbamic acid 
• 29667-71-8 o-phenyl (4-methoxyphenyl)carbamothioate 
• 104-94-9 4-methoxy-aniline 
• 1005-56-7 phenylcarbonochloridothioate 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 97-65-4 2-methylenesuccinic acid 
• 333-20-0 potassium thioacyanate 
• 2293-07-4 1-(4-methoxyphenyl)thiourea 

Downstream Products

• 112657-28-0 aziridine-1-carbothioic acid p-anisidide 
• 109219-12-7 4-methyl-piperazine-1-carbothioic acid p-anisidide 
• 21780-68-7 1-(4-methoxyphenyl)-3-(pyridin-2-yl)thiourea 
• 108240-72-8 N-(4-amino-2-methyl-[6]quinolyl)-N'-(4-methoxy-phenyl)-thiourea 
• 94565-92-1 2-(2-hydroxybenzoyl)-N-(4-methoxyphenyl)hydrazine-1-carbothioamide 
• 108836-81-3 N-[[(4-methoxyphenyl)amino]thioxomethyl]-4-methylphenylsulfonamide 
• 35228-40-1 N-(4-methoxyphenyl)pentanethioamide 
• 22007-38-1 O-ethyl N-(4-methoxyphenyl)thiocarbamate 
• 101260-81-5 N-heptyl-N'-(4-methoxy-phenyl)-thiourea 
• 97360-15-1 [(4-methoxy-phenylthiocarbamoyl)-hydrazono]-di-acetic acid dimethyl ester 
• 117839-86-8 1-(2,4-dihydroxy-benzoyl)-4-(4-methoxy-phenyl)-thiosemicarbazide 
• 342606-46-6 N-benzyl-N-(2-diethylamino-ethyl)-N'-(4-methoxy-phenyl)-thiourea 
• 859733-96-3 N-bibenzyl-α-yl-N-(2-diethylamino-ethyl)-N'-(4-methoxy-phenyl)-thiourea 
• 859785-63-0 N'-isopropyl-N'''-(4-methoxy-phenyl)-N,N''-p-phenylene-bis-thiourea 

Relevant articles and documents

Microwave mediated synthesis of 2-aminooxazoles

A microwave mediated synthesis of 2-aminooxazoles at 150 °C was developed, providing products with a variety of functional groups. The reaction takes 5 min and provides product with a simple precipitation at moderate to good yields without the need for recrystallization or flash chromatography.

Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates

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NaOH-promoted one-pot aryl isothiocyanate synthesis under mild benchtop conditions

In this work, we have established a green synthesis of aryl isothiocyanates promoted by the low-cost and readily available NaOH from aryl amines and carbon disulfide in a one-pot procedure. The developed protocol features no extra desulfurating reagents and mild benchtop conditions, in which NaOH serves as both the base and the desulfurating reagent to decompose the dithiocarbamate intermediate. Fourteen examples of aryl amines bearing electronic neutral, rich and poor substituents, as well as benzylamine, have proved to be compatible substrates in the developed method to furnish the corresponding isothiocyanates. The reaction has been performed on a gram scale to further demonstrate its synthetic utility. Compared to the reported base-promoted synthesis of aryl isothiocyanates that requires the use of special equipment, such as the ball mill or the microwave reactor, the simplicity in operation and scalability enables this method to efficiently access a variety of aryl isothiocyanates.