4-Methoxybenzyl isocyanate

4-Methoxybenzyl isocyanate Basic information
Product Name:4-Methoxybenzyl isocyanate
Synonyms:4-METHOXYBENZYL ISOCYANATE;4-METHOXYBENZYL ISOCYANATE 98%;4-Methoxybenzyl isocyanate ,98%;1-(isocyanatomethyl)-4-methoxybenzene;4-Methoxybenzyl isocyanate,99%;4-methoxybenyl isocyanate;1-(Isocyanatomethyl)-4-methoxybenzene, 4-(Isocyanatomethyl)phenyl methyl ether, 4-(Isocyanatomethyl)anisole;Isocyanic acid, p-methoxybenzyl-
CAS:56651-60-6
MF:C9H9NO2
MW:163.17
EINECS:
Product Categories:Isocyanates;Nitrogen Compounds;Organic Building Blocks
Mol File:56651-60-6.mol
4-Methoxybenzyl isocyanate Structure
4-Methoxybenzyl isocyanate Chemical Properties
Boiling point 60-66 °C/0.6 mmHg (lit.)
density 1.143 g/mL at 25 °C (lit.)
refractive index n20/D 1.433(lit.)
Fp >230 °F
storage temp. 2-8°C
InChIInChI=1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChIKeyQRBHVARIMDDOOV-UHFFFAOYSA-N
SMILESC1(CN=C=O)=CC=C(OC)C=C1
CAS DataBase Reference56651-60-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38-42
Safety Statements 26-36/37/39-37/39
RIDADR UN 2206PSN1B 6.1 / PGIII
WGK Germany 3
HazardClass IRRITANT
HS Code 29291090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
4-Methoxybenzyl isocyanate Usage And Synthesis
Chemical Propertiesclear colourless to yellow liquid
Uses4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2-[(4-nitrophenyl)amino]ethyl}urea and 1-(4-methoxybenzyl)-3-{2-[(5-nitropyridin-2-yl)amino]ethyl} urea.
It may be used in the multi-step synthesis of:
  • diimidazodiazepine containing 5:7:5-fused heterocycle
  • 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
  • bicyclic guanidine core of batzelladine A
General Description4-Methoxybenzyl isocyanate (PMBNCO), also known as p-methoxybenzyl isocyanate, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.
4-Methoxybenzyl isocyanate Preparation Products And Raw materials
Raw materialsTetrahydrofuran-->N,N-Diisopropylethylamine-->Triphosgene-->4-Methoxybenzylamine
2-METHOXYBENZYL ISOCYANATE 97 METHYL-3-ISOCYANATO-3-(4-HEXYLOXYPHENYL) PROPIONATE Benzyl isocyanate 2 4-DIMETHOXYBENZYL ISOCYANATE 97 3-METHOXYBENZYL ISOCYANATE Propyl isocyanate (R)-1-(4-METHOXYPHENYL)ETHYL ISOCYANATE 3 4 5-TRIMETHOXYBENZYL ISOCYANATE 97 ISOCYANIC ACID 2-METHOXYBENZYL ISOCYANATE ISOCYANATE 3,4-Dimethoxybenzyl isocyanate Chlorosulfonyl isocyanate Isocyanatocyclohexane 3-METHOXYBENZYL ISOCYANATE 97 (S)-(-)-1-(4-METHOXYPHENYL)ETHYL ISOCYANATE 4-Methoxybenzyl isocyanate METHYL-3-ISOCYANATO-3-(4-BENZYLOXYPHENYL) PROPIONATE

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