2-Methoxyphenyl isocyanate

Base Information

• Chemical Name: 2-Methoxyphenyl isocyanate
• CAS No.: 700-87-8
• Molecular Formula: C8H7 N O2
• Molecular Weight: 149.149
• Hs Code.: 2929109000
• European Community (EC) Number: 211-853-5
• DSSTox Substance ID: DTXSID1061025
• Nikkaji Number: J193.062A
• Mol file: 700-87-8.mol

Synonyms:2-Methoxyphenyl isocyanate;700-87-8;1-Isocyanato-2-methoxybenzene;2-Methoxyphenylisocyanate;Benzene, 1-isocyanato-2-methoxy-;o-Methoxyphenyl isocyanate;1-isocyanato-2-methoxy-benzene;O-Anisylisocyanate;EINECS 211-853-5;MFCD00002004;o-Anisyl isocyanate;methoxyphenyl isocyanate;2-methoxyphenyl-isocyanate;orthomethoxyphenylisocyanate;2-methoxy phenyl isocyanate;SCHEMBL77114;1-isocyanato-2-methoxy benzene;DTXSID1061025;SUVCZZADQDCIEQ-UHFFFAOYSA-;1-Isocyanato-2-methoxybenzene #;2-Methoxyphenyl isocyanate, 99%;BBL027367;GEO-02775;Isocyanic Acid 2-Methoxyphenyl Ester;STK504590;AKOS000120522;CS-W004119;PS-10296;SY048800;BB 0253724;FT-0632841;I0439;EN300-20962;D77648;A836767;W-104569;F2190-0551

Chemical Property of 2-Methoxyphenyl isocyanate

Chemical Property:

• Appearance/Colour: Colorless to slightly yellow Liquid
• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: n20/D 1.5414(lit.)
• Boiling Point: 94.7-95.4 ºC (10 mmHg),222.5 °C at 760 mmHg
• Flash Point: 99.8 °C
• PSA: 38.66000
• Density: 1.122
• LogP: 1.66250
• Sensitive.: Moisture Sensitive
• Water Solubility.: REACTS
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

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

2-Methoxyphenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37-36/37/38
• Safety Statements: 26-27-28-36/39-36/37/39-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC=C1N=C=O
• Uses: 2-Methoxyphenyl isocyanate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2-Methoxyphenyl isocyanate

There total 11 articles about 2-Methoxyphenyl 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) + 2-methoxy-phenylamine (90-04-0) → 1-Isocyanato-2-methoxy-benzene (700-87-8)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmc.2013.03.075

Reference yield: 86.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-methoxy-phenylamine (90-04-0) → 1-Isocyanato-2-methoxy-benzene (700-87-8)

Guidance literature:

With dmap; In acetonitrile; at 25 ℃; for 0.166667h;

Reference yield: 84.91%

→ 1-Isocyanato-2-methoxy-benzene (700-87-8)

Guidance literature:

In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;

upstream raw materials:

o-methoxybenzoyl azide

phosgene

2-methoxy-phenylamine

benzene

Downstream raw materials:

methyl N-(o-methoxyphenyl)-carbamate

3,3-diethoxy-acrylic acid o-anisidide

(2-methoxy-phenyl)-carbamic acid-(2-diethylamino-ethyl ester)

tris(o-methoxyphenyl)isocyanurate

Refernces

• 1、 -. "2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone compounds and application thereof". Paragraph 0049; 0069. . Retrieved 2018/04/21.
• 2、 Chen, Jia-Nian,Wang, Xian-Fu,Li, Ting,Wu, De-Wen,Fu, Xiao-Bo,Zhang, Guang-Ji,Shen, Xing-Can,Wang, Heng-Shan. "Design, synthesis, and biological evaluation of novel quinazolinyl-diaryl urea derivatives as potential anticancer agents". . p. 12 - 25. Retrieved 2015/11/17.