4-Methoxybenzyl isocyanate

Base Information

• Chemical Name: 4-Methoxybenzyl isocyanate
• CAS No.: 56651-60-6
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 29291090
• Mol file: 56651-60-6.mol

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

Chemical Property of 4-Methoxybenzyl isocyanate

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 0.0223mmHg at 25°C
• Refractive Index: n20/D 1.433(lit.)
• Boiling Point: 249.9 °C at 760 mmHg
• Flash Point: 112.6 °C
• PSA: 38.66000
• Density: 1.04 g/cm³
• LogP: 1.53100
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(Isocyanatomethyl)-4-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-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 heterocycle2-deoxy-2-ureido-D-ribo-hexulofuranosonamidebicyclic guanidine core of batzelladine A

Technology Process of 4-Methoxybenzyl isocyanate

There total 18 articles about 4-Methoxybenzyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-methoxy-benzylamine (2393-23-9) → 4-methoxybenzyl isocyanate (56651-60-6)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmc.2013.03.075

Reference yield: 98.0%

2-(4-methoxy-benzyloxy)-tetrahydro-pyran (18494-82-1) + tetrabutylammonium isocyanate (39139-87-2) → 4-methoxybenzyl isocyanate (56651-60-6)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 5h; Reflux;

DOI:10.1080/10426500802508212

Reference yield: 97.0%

tetrabutylammonium isocyanate (39139-87-2) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyl isocyanate (56651-60-6)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃;

DOI:10.1055/s-2005-869906

upstream raw materials:

phosgene

4-methoxy-benzylamine

4-methoxybenzylamine hydrochloride

(4-Methoxy-phenyl)-acetyl azide

Downstream raw materials:

1-(4-Methoxy-benzyl)-3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-urea

C₂₁H₃₀N₂O₈

1-[3-(4-methoxy-benzyl)-2,4,5-trioxo-imidazolidin-1-yl]-cyclohexanecarboxylic acid benzyl ester

6-(3,4-Dichloro-benzyl)-5,7-dioxo-6,7-dihydro-5H-thiazolo[3,2-c-]pyrimidine-2-carboxylic acid 4-methoxy-benzylamide

Refernces

• 1、 Hou, Shicheng,Liang, Shishao,Zhang, Chao,Han, Yingmei,Liang, Jianhui,Hu, Hongyu,Zhang, Xingeng,Hu, Chun,Liu, Xiaoping,Zhang, Hong. "Design, synthesis and anticancer activity of a new series of n-aryl-n′-[4-(Pyridin-2-ylmethoxy)benzyl]urea derivatives". . . Retrieved 2021/06/25.
• 2、 -. "BICYCLIC PESTICIDAL COMPOUNDS". Page/Page column 65. . Retrieved 2018/12/13.