2-(METHOXYCARBONYL)PHENYL ISOCYANATE

Base Information

• Chemical Name: 2-(METHOXYCARBONYL)PHENYL ISOCYANATE
• CAS No.: 1793-07-3
• Molecular Formula: C9H7 N O3
• Molecular Weight: 177.159
• Hs Code.: 2929109000
• Mol file: 1793-07-3.mol

Synonyms:Benzoicacid, o-isocyanato-, methyl ester (7CI,8CI); 2-(Carbomethoxy)phenyl isocyanate;2-(Methoxycarbonyl)phenyl isocyanate; 2-Isocyanatobenzoic acid methyl ester;Methyl 2-isocyanatobenzoate; o-Carbomethoxyphenyl isocyanate

Chemical Property of 2-(METHOXYCARBONYL)PHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.0083mmHg at 25°C
• Melting Point: 45-49 °C(lit.)
• Refractive Index: 1.528
• Boiling Point: 101 °C2 mm Hg(lit.)
• Flash Point: 124.8°C
• PSA: 55.73000
• Density: 1.15g/cm³
• LogP: 1.44050
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.

Purity/Quality:

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

Methyl 2-isocyanatobenzoate 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 2-isocyanatobenzoate may be used for the following syntheses:3H-quinazolin-4-onesA1120, a high affinity (Ki = 8.3nM) non-retinoid ligand for the Retinol-binding proteintrans- and cis-N-phenyl-N′-(4-phenoxy)cyclohexylureas

Technology Process of 2-(METHOXYCARBONYL)PHENYL ISOCYANATE

There total 8 articles about 2-(METHOXYCARBONYL)PHENYL 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-carbomethoxyaniline (134-20-3) → methyl 2-isocyanatobenzoate (1793-07-3)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 95.0%

phosgene (75-44-5) + C11H17O2NSi → methyl 2-isocyanatobenzoate (1793-07-3)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206070115

Reference yield: 79.15%

→ methyl 2-isocyanatobenzoate (1793-07-3)

Guidance literature:

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

upstream raw materials:

Monomethyl phthalate

phosgene

2-carbomethoxyaniline

4-Nitrophenyl chloroformate

Downstream raw materials:

N-2'-carbomethoxy-2-oxo-3,4,5,6-tetrahydrobenzanilide

N-2'-carbomethoxy-2-morpholino-3,4,5,6-tetrahydrobenzanilide

methyl 2-(3-sec-butylureido)benzoate

2-[(1-Oxo-1,2-dihydro-benzo[d]azepine-3-carbonyl)-amino]-benzoic acid methyl ester

Refernces

• 1、 -. "With anti-tumor effect of a quinazoline-urea derivative and its application (by machine translation)". Paragraph 0139-0142; 0172. . Retrieved 2016/11/02.
• 2、 Koller, Manuel,Lingenhoehl, Kurt,Schmutz, Markus,Vranesic, Ivan-Toma,Kallen, Joerg,Auberson, Yves P.,Carcache, David A.,Mattes, Henri,Ofner, Silvio,Orain, David,Urwyler, Stephan. "Quinazolinedione sulfonamides: A novel class of competitive AMPA receptor antagonists with oral activity". scheme or table. p. 3358 - 3361. Retrieved 2011/07/07.