30806-83-8

Basic information

• Product Name: ETHYL 4-ISOCYANATOBENZOATE
• Synonyms: 4-Ethoxycarbonyphenyl isocyanate;Ethyl 4-isocyanatobenzoate 97%;Ethyl para-isocyanatobenzoate;Ethyl p-isocyanatobenzoate;ETHYL 4-ISOCYANATOBENZOATE;4-CARBETHOXY-PHENYLISOCYANATE;4-(ETHOXYCARBONYL)PHENYL ISOCYANATE;4-Carboethoxyphenyl isocyanate~Ethyl 4-isocyanatobenzoate
• CAS NO: 30806-83-8
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18
• EINECS: 250-344-2
• Product Categories: Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 30806-83-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 27-29 °C(lit.)
• Boiling Point: 118-119 °C0.8 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.2722 (rough estimate)
• Vapor Pressure: 0.000504mmHg at 25°C
• Refractive Index: 1.5310 (estimate)
• Storage Temp.: 0-6°C
• Water Solubility: Hydrolyses in water.
• Sensitive: Moisture Sensitive
• BRN: 882021
• CAS DataBase Reference: ETHYL 4-ISOCYANATOBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-ISOCYANATOBENZOATE(30806-83-8)
• EPA Substance Registry System: ETHYL 4-ISOCYANATOBENZOATE(30806-83-8)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-27-37/39
• RIDADR: 2206
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 30806-83-8(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to yellow liquid after melting

Uses

Ethyl 4-isocyanatobenzoate was used in the preparation of cellulose carbamate and ester derivatives. It was also used in the preparation of ethyl 4-(3-(4-oxo-6-tridecyl-1,4-dihydropyrimidin-2-yl)ureido)benzoate and ethyl 4-(2-oxocyclohexanecarboxamido)benzoate.

Synthesis Reference(s)

The Journal of Organic Chemistry, 28, p. 71, 1963 DOI: 10.1021/jo01036a014

InChI:InChI=1/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3

Upstream product

• 201230-82-2 carbon monoxide 
• 99-77-4 ethyl 4-nitrobenzoate 
• 4461-33-0 benzoyl isocyanate 
• 75-44-5 phosgene 
• 59096-06-9 4-(Trimethylsilanyl-amino)-benzoic acid ethyl ester 
• 94-09-7 p-aminoethylbenzoate 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 503-38-8 trichloromethyl chloroformate 
• 23239-88-5 benzocaine hydrochloride 

Downstream Products

• 88636-91-3 N-(4-ethoxycarbonylphenyl)oxazolidin-2-one 
• 187741-67-9 4-[(methoxycarbonyl)amino] ethyl benzoate 
• 69123-49-5 4-(3-[1,3,4]thiadiazol-2-yl-ureido)-benzoic acid ethyl ester 
• 107150-05-0 4-(5-methyl-2-oxo-oxazolidin-3-yl)-benzoic acid ethyl ester 
• 99988-79-1 4-(2,4-dioxo-oxazolidin-3-yl)-benzoic acid ethyl ester 
• 100926-78-1 7-quinolyl-4-carbethoxy carbanilate 
• 59741-07-0 4-(Quinolin-8-yloxycarbonylamino)-benzoic acid ethyl ester 
• 457898-93-0 4-(3-hydroxy-3,5-dimethyl-hex-5-enyloxycarbonylamino)-benzoic acid ethyl ester 

Relevant articles and documents

NAMPT INHIBITORS

Disclosed are compounds which inhibit the activity of NAMPT, compositions containing the compounds and methods of treating diseases during which NAMPT is expressed.

NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS

Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R1 to R6 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

On the chemistry of pyrido[1,2-a]pyrazines - Reactivity towards heterocumulenes and ketenes

In order to extend the ring transformation reactions of pyrido[1,2-a]pyrazines 1 which contain a cyclic 2-aza-1,3-diene substructure acceptor-substituted heterocumulenes 2 have been tested as dienophiles. In contrast to other reactions described to date, exclusively the exocyclic imino function was attacked. In the course of a hetero-metathesis the new aryl-(4-thiono-4H-pyrido[1,2-a]pyrazin-3-yl)amines 4Ra and aryl-(4-selono-4H-pyrido[1,2-a]pyrazin-3-yl)amines 4Rb were formed. In the case of isocyanates of type 2e and 2f the preliminary [2+2]-cycloaddition reaction preferably takes place on the C-N-bond of the isocyanate group leading to acyl-aryl substituted pyridopyrazines 4Re and 4Rf. The reaction of 1 with in situ generated ketenes of type 6 gave the pyrrolo-condensed pyrido[1,2-a]pyrazine 9 which can further be transformed to the highly substituted pyridopyrrolinones 10 . Whereas acetyl chloride only led to N-acylated pyrido[1,2-a]pyrazines 12, benzoyl chloride in addition to 12 astonishingly formed the double-acylated pyrido[1,2-a]pyrazines 13. Wiley-VCH Verlag GmbH, 1999.