30988-17-1

Basic information

• Product Name: Methyl 2-isocyanatoacetate
• Synonyms: Acetic acid, isocyanato-, Methyl ester;N-Carbonylglycine Methyl Ester;Methyl 2-isocyanatoacetate
• CAS NO: 30988-17-1
• Molecular Formula: C₄H₅NO₃
• Molecular Weight: 115.0874
• EINECS: -0
• Product Categories: Amino Acids & Derivatives, Miscellaneous Reagents
• Mol File: 30988-17-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 73 °C(Press: 19 Torr)
• Appearance: /
• Density: 1.13±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Methyl 2-isocyanatoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-isocyanatoacetate(30988-17-1)
• EPA Substance Registry System: Methyl 2-isocyanatoacetate(30988-17-1)

Safety Data

• Hazardous Substances Data: 30988-17-1(Hazardous Substances Data)

Usage

Description

Methyl 2-isocyanatoacetate is an organic compound that serves as an important intermediate in the synthesis of various pharmaceuticals and bioactive molecules. It is characterized by its isocyanate functional group, which allows for versatile chemical reactions and the formation of urea-based compounds.

Uses

Used in Pharmaceutical Industry:
Methyl 2-isocyanatoacetate is used as a key intermediate in the synthesis of caplain inhibitors, which are urea-based compounds. These inhibitors play a crucial role in modulating the activity of specific enzymes and receptors, thereby exhibiting therapeutic effects in various diseases.
Methyl 2-isocyanatoacetate is also used in the preparation of CCK-B/gastrin receptor antagonists. These antagonists are valuable in the treatment of gastrointestinal disorders and other conditions related to the regulation of gastric acid secretion and digestive functions.
Additionally, Methyl 2-isocyanatoacetate is utilized in the synthesis of N-Carbonylglycine Methyl Ester, another intermediate that contributes to the development of urea-based caplain inhibitors and CCK-B/gastrin receptor antagonists. This further highlights the compound's significance in the pharmaceutical industry for creating innovative and effective therapeutic agents.

Upstream product

• 31954-27-5 N-(tert-butoxycarbonyl)glycine methyl ester 

Downstream Products

• 17272-95-6 N-(4--phenyl)-N'-(methoxycarbonyl-methyl)-harnstoff 
• 883973-96-4 [3-(2-benzyloxy-ethyl)-3-isobutyl-ureido]-acetic acid methyl ester 
• 1146299-56-0 methyl 2-(3-benzylureido)acetate 
• 1374216-31-5 [4-(2-carbazol-9-ylethoxy)phenoxycarbonylamino]acetic acid methyl ester 
• 89204-93-3 5-(4-chlorophenyl)oxazole-4-carboxylic acid methyl ester 
• 881902-44-9 {(S)-2-Acetoxy-3-[3-((2S,3S)-3-tert-butoxycarbonylamino-3-cyclohexyl-2-hydroxy-propyl)-3-cyclopropylmethyl-ureido]-4-cyclopropyl-butyrylamino}-acetic acid methyl ester 
• 99060-54-5 methyl N-[(phenylsulfanyl)carbonyl]glycinate 
• 17194-93-3 N--thiolcarbaminsaeure-<4-(N,N-bis-(2-brom-ethyl)-amino)-phenylester> 
• 17194-91-1 N--thiolcarbaminsaeure-<4-(N,N-bis-(2-chlor-ethyl)-amino)-phenylester> 
• 106736-55-4 N--thiolcarbaminsaeure-<4-diethylamino-phenylester> 
• 144876-70-0 methyl -6-(1H-indol-3-ylmethyl)-6-methyl-4,7,12-trioxo-10,14-diphenyl-13-oxa-3,5,8,11-tetraazatetradecanoate 

Relevant articles and documents

One-pot synthesis of ureas from Boc-protected amines

A practical one-pot synthesis of ureas is described. Boc-protected amines can be transformed into nonsymmetrical and symmetrical disubstituted and trisubstituted ureas utilizing 2-chloropyridine and trifluoromethanesulfonyl anhydride for the in situ generation of an isocyanate, which reacts with an amine. A variety of amines can be employed successfully, leading to high yields of isolated ureas.