77093-92-6

Basic information

• Product Name: METHYL 2-[3-(2-CHLOROETHYL)UREIDO]BENZOATE
• Synonyms: METHYL 2-[3-(2-CHLOROETHYL)UREIDO]BENZOATE;TIMTEC-BB SBB003107
• CAS NO: 77093-92-6
• Molecular Formula: C₁₁H₁₃ClN₂O₃
• Molecular Weight: 256.69
• Product Categories: Carbonyl Compounds;Organic Building Blocks;Ureas
• Mol File: 77093-92-6.mol

Chemical Properties

• Melting Point: 142 °C(lit.)
• Boiling Point: 372.3°C at 760 mmHg
• Flash Point: 179°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 9.7E-06mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: METHYL 2-[3-(2-CHLOROETHYL)UREIDO]BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-[3-(2-CHLOROETHYL)UREIDO]BENZOATE(77093-92-6)
• EPA Substance Registry System: METHYL 2-[3-(2-CHLOROETHYL)UREIDO]BENZOATE(77093-92-6)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 77093-92-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13ClN2O3/c1-17-10(15)8-4-2-3-5-9(8)14-11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H2,13,14,16)

Upstream product

• 1943-83-5 2-chloroethyl isothiocyanate 
• 134-20-3 2-carbomethoxyaniline 

Downstream Products

• 77093-93-7 2-(2-chloroethylamino)-4H-<3,1>benzoxazin-4-one 
• 52727-44-3 2,3-dihydro-5H-oxazolo<2,3-b>quinazolin-5-one 
• 5081-87-8 3-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline 
• 77093-99-3 3-(N-phenyl-2-aminoethyl)-2,4-(1H,3H)quinazolinedione 
• 77093-97-1 3-(2-methoxyethyl)-2,4-(1H,3H)quinazolinedione 
• 77093-96-0 3-(2-bromoethyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazoline 
• 1207-75-6 2,4-Dioxo-3-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinazoline 

Relevant articles and documents

Convenient Preparation of N-substituted 2-Amino-4H-3,1-benzoxazin-4-ones and 3-Substituted 2,4(1H,3H)-Quinazolinediones

Room temperature of 2-(3-arylureido)benzoic acids (1) and methyl2-(3-alkyl-, or 3-arylureido)-benzoates (2) with concentrated sulfuric acid leads to N-substituted 2-amino-4H-3,1-benzoxazin-4-ones (3) in generally very good yields.The isomeric 3-substitute

Reactions of o-Aminonitriles with Isocyanates. 1. A Two-Step Synthesis of 2,6-Dihydroimidazoquinazolin-5-(3H)one

The reaction of anthranilonitrile with 2-chloroethyl isocyanate yields 2-benzonitrile (6) which, upon heating, or treatment with base, undergoes a double cyclization to form 2,6-dihydroimidazoquinazolin-5-(3H)one (8) in excellent yield.When heated with hydrochloric acid, 6 is converted initially into 2-(2-chloroethylamino)-4H-benzoxazin-4-one (18) and further into 3-(2-chloroethyl)-2,4-(1H,3H)quinazolinedione (15).The acid-catalyzed reaction of 2,3-dihydro-5H-oxazoloquinazolin-5-one (14) with nucleophilic reagents yields 3-substituted 2,4-(1H,3H)quinazolinediones.