1793-07-3

Basic information

• Product Name: 2-(METHOXYCARBONYL)PHENYL ISOCYANATE
• Synonyms: METHYL 2-ISOCYANATOBENZOATE;2-(METHOXYCARBONYL)PHENYL ISOCYANATE;2-(Carbomethoxy)phenyl isocyanate~Methyl 2-isocyanatobenzoate;2-Isocyanatobenzoic acid methyl ester;Methyl 2-isocyanatobenzoateMethyl 2-isocyanatobenzoate;Methyl 2-isocyanatobenzoate 97%
• CAS NO: 1793-07-3
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 1793-07-3.mol
• Article Data: 14

Chemical Properties

• Melting Point: 45-49 °C(lit.)
• Boiling Point: 101 °C2 mm Hg(lit.)
• Flash Point: 145-146°C/16mm
• Appearance: White to off-white/Solid or Crystalline Solid
• Density: 1.15±0.1 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0083mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Water Solubility: Hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 1241370
• CAS DataBase Reference: 2-(METHOXYCARBONYL)PHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(METHOXYCARBONYL)PHENYL ISOCYANATE(1793-07-3)
• EPA Substance Registry System: 2-(METHOXYCARBONYL)PHENYL ISOCYANATE(1793-07-3)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-37/39
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1793-07-3(Hazardous Substances Data)

Usage

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

InChI:InChI=1/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3

Upstream product

• 4376-18-5 Monomethyl phthalate 
• 75-44-5 phosgene 
• 134-20-3 2-carbomethoxyaniline 
• 7693-46-1 4-Nitrophenyl chloroformate 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 23122-05-6 2-(3-Methoxycarbonylamino-phenoxycarbonylamino)-benzoic acid methyl ester 
• 118-48-9 isatoic anhydride 
• 110919-50-1 2-<((5-amino-1H-tetrazol-1-yl)carbonyl)amino>benzoic acid methyl ester 
• 100076-32-2 N-<(2-carbomethoxyphenyl)carbamoyl>-L-prolyl-L-phenylalaninimide 
• 43121-82-0 N-(o-Methoxycarbonyl-phenyl)-N'-cyclohexyl-harnstoff 
• 78754-94-6 2-(2,4-dioxo-1,2,3,4-tetrahydroxyquinazolin-3-yl) acetic acid 
• 906090-50-4 methyl 2-({[4-(2-quinoxalinyl)-1-piperazinyl]carbonyl}amino)benzoate 
• 100076-66-2 2-benzylamino-4H-3,1-benzoxazin-4-one 

Relevant articles and documents

A practical solid phase synthesis of quinazoline-2, 4-diones

We describe a practical solid phase synthesis of quinazoline-2,4-diones using a short-chain, high loading capacity, polyethyleneglycol polystyrene copolymer ('PEG4-PS' resin). The highlights of this synthesis include efficient acyl azide format

With anti-tumor effect of a quinazoline-urea derivative and its application (by machine translation)

The present invention relates to a of the general formula (II) anti-tumor function of said quinazoline-urea derivative and its application. The definition of the substituent in the general formula (II) in the specification. This invention, in order to SUO draw non-Buddhist nun and Geftinat compounds as the precursor, retention of SUO draw non-Buddhist nun the pharmocology-carbamido; at the same time, such as in reserved [...] EGFR-TKIs Geftinat, synthesis, and obtain a series of quinazoline-urea derivatives, by the in vitro activity tests, some compounds exhibit excellent anti-tumor activity, such derivatives have high research and utility value. (II). (by machine translation)

Discovery of orally bioavailable and novel urea agonists of the high affinity niacin receptor GPR109A

A urea class of high affinity niacin receptor agonists was discovered. Compound 1a displayed good PK, better in vivo efficacy in reducing FFA in mouse than niacin, and no vasodilation in a mouse model. Compound 1q demonstrated equal affinity to GPR109A as niacin.