3694-57-3

Basic information

• Product Name: 4-METHOXYBENZYL ISOTHIOCYANATE
• Synonyms: 1-ISOTHIOCYANATOMETHYL-4-METHOXY-BENZENE;4-METHOXYBENZYL ISOTHIOCYANATE;P-METHOXYBENZYL ISOTHIOCYANATE;4-Methoxybenzylisothiocyanate, GC 96%;4-METHOXYBENZYL ISOTHIOCYANATE: 9%;4-METHOXYBENZYLISOTHIOCYANATE 96%;4-Methoxybenzyl isothiocyanate,96%;4-Methoxybenzyl isothiocyanate, 96% 5GR
• CAS NO: 3694-57-3
• Molecular Formula: C₉H₉NOS
• Molecular Weight: 179.24
• EINECS: -0
• Product Categories: Aromatics;Miscellaneous Reagents
• Mol File: 3694-57-3.mol
• Article Data: 26

Chemical Properties

• Boiling Point: 170-175 °C (16 mmHg)
• Flash Point: 132-133°C/0.7mm
• Appearance: White/Crystalline Powder and/or Chunks
• Density: 1.0872
• Vapor Pressure: 0.00338mmHg at 25°C
• Refractive Index: 1.591-1.598
• Storage Temp.: -20°C
• Solubility: DMSO, Ethyl Acetate (Slightly)
• Water Solubility: Hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 2089549
• CAS DataBase Reference: 4-METHOXYBENZYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHOXYBENZYL ISOTHIOCYANATE(3694-57-3)
• EPA Substance Registry System: 4-METHOXYBENZYL ISOTHIOCYANATE(3694-57-3)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-43-36
• Safety Statements: 36/37/39-26-36/37
• RIDADR: 2810
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 3694-57-3(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

Uses

4-Methoxybenzyl isothiocyanate is used as pharmaceutical intermediates.

InChI:InChI=1/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3

Upstream product

• 2393-23-9 4-methoxy-benzylamine 
• 499-27-4 glucoaubrietin 
• 463-71-8 thiophosgene 
• 14629-56-2 trimethyl(4-methoxybenzyloxy)silane 
• 1147550-11-5 ammonium thiocyanate 
• 105-13-5 4-Methoxybenzyl alcohol 
• 75-15-0 carbon disulfide 
• 333-20-0 potassium thioacyanate 
• 2746-25-0 p-Methoxybenzyl bromide 
• 557-42-6 zinc(II) thiocyanate 
• 163276-49-1 1-thiocyanatopyrrolidine-2,5-dione 
• 18494-82-1 2-(4-methoxy-benzyloxy)-tetrahydro-pyran 
• 824-94-2 p-methoxybenzyl chloride 
• 540-72-7 sodium thiocyanide 

Downstream Products

• 22313-70-8 1,3-bis(4-methoxyphenylmethyl)thiourea 
• 874288-81-0 5-(4-methoxy-benzylamino)-thiazole-4-carboxylic acid ethyl ester 
• 401907-89-9 1-(furan-2-ylmethyl)-3-(4-methoxybenzyl)thiourea 
• 1208228-54-9 C₁₄H₁₅N₃O₃S 
• 16735-76-5 N-(4-methoxybenzyl)hydrazinecarbothioamide 
• 1209007-73-7 C₁₉H₁₈FNO₃S 
• 1209007-37-3 2-[(4-methoxybenzyl)amino]thieno[3,2-b]pyridine-3-carboxylic acid 
• 1209007-36-2 ethyl 2-[(4-methoxybenzyl)amino]thieno[3,2-b]pyridine-3-carboxylate 
• 1209007-74-8 6-fluoro-2-[(4-methoxybenzyl)amino]-1-benzothiophene-3-carboxylic acid 

Relevant articles and documents

4-Dimethylaminopyridine-catalyzed synthesis of isothiocyanates from amines and carbon disulfide

Isothiocyanates were synthesized by reactions between primary amines and CS2 in the presence of 4-dimethylaminopyridine as a catalyst and tert-butyl hydroperoxide as an oxidant. Various aryl, benzyl, alkyl, and hydroxyl amines were transformed into the corresponding isothiocyanates in 41–82% yields.

PREPARATION METHOD FOR AND INTERMEDIATE OF PYRROLO SIX-MEMBERED HETEROAROMATIC RING DERIVATIVE

Disclosed are an intermediate of a pyrrolo six-membered heteroaromatic ring derivative as a JAK inhibitor and a preparation method therefor, and a method for preparing a pyrrolo six-membered heteroaromatic ring derivative using the intermediate. The metho

PREPARATION METHOD FOR PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE AND INTERMEDIATE THEREOF

The present invention relates to preparation method for pyrrole six-membered heteroaryl ring derivative and intermediate thereof. Specifically, the present invention relates to a preparation method for pyrrole six-membered heteroaryl ring derivative, inte