23138-53-6

Basic information

• Product Name: METHYL 4-ISOCYANATOBENZOATE 98
• Synonyms: Methyl 4-isocyanatobenzoate;methyl 4-isocyanatobenzoate(SALTDATA: FREE);Benzoic acid, 4-isocyanato-, Methyl ester;Methyl 4-isocyanatobenzoate 98%;4-Methoxycarbonyphenyl isocyanate;4-isocyanatobenzoic acid methyl ester;METHYL 4-ISOCYANATOBENZOATE 98
• CAS NO: 23138-53-6
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.158
• Product Categories: Organic Building Blocks;Isocyanates;Nitrogen Compounds
• Mol File: 23138-53-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 50-52 °C(lit.)
• Boiling Point: 264.9 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.15 g/cm³
• Vapor Pressure: 0.00943mmHg at 25°C
• Refractive Index: 1.528
• Storage Temp.: 2-8°C
• CAS DataBase Reference: METHYL 4-ISOCYANATOBENZOATE 98(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-ISOCYANATOBENZOATE 98(23138-53-6)
• EPA Substance Registry System: METHYL 4-ISOCYANATOBENZOATE 98(23138-53-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36
• RIDADR: UN 3335
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 23138-53-6(Hazardous Substances Data)

Usage

Uses

Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.

General Description

Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.

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

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 619-45-4 4-methoxycarbonyl aniline 
• 75-44-5 phosgene 
• 503-38-8 trichloromethyl chloroformate 
• 1384477-13-7 methyl 4-[(1H-imidazol-1-ylcarbonyl)amino]benzoate 
• 100192-88-9 4-allyloxycarbonylamino-benzoic acid methyl ester 
• 173458-34-9 4-azidocarbonyl-benzoic acid methyl ester 

Downstream Products

• 100192-88-9 4-allyloxycarbonylamino-benzoic acid methyl ester 
• 17273-11-9 N-<4-(N,N-Bis-(2-chloraethyl)-amino)-phenyl>-N'-<4-(methoxycarbonyl)-phenyl>-harnstoff 
• 17272-99-0 N-<4-Methoxycarbonyl-phenyl>-carbaminsaeure-4--phenylester 
• 101097-65-8 4-(phenoxycarbonylamino)benzoic acid methyl ester 
• 17194-95-5 N-<4-Methoxycarbonyl-phenyl>-thiolcarbaminsaeure-<4-(N,N-bis-(2-chlor-ethyl)-amino)-phenylester> 
• 17273-03-9 N-<4-Methoxycarbonyl-phenyl>-thiolcarbaminsaeure-<4-(N,N-bis-(2-brom-ethyl)-amino)-phenylester> 
• 41920-48-3 4-(4-Hydroxy-phenoxycarbonylamino)-benzoic acid methyl ester 
• 857030-20-7 C₁₅H₁₄N₄O₄ 
• 916489-82-2 4-{3-[4-(4-fluoro-phenoxy)-cyclohexyl]-ureido}-benzoic acid methyl ester 
• 1255091-97-4 C₁₆H₁₀F₂N₂O₄ 
• 1015433-98-3 C₁₇H₁₄F₂N₂O₅ 
• 1015435-72-9 C₂₂H₂₂FN₃O₆ 

Relevant articles and documents

Tris(2-aminoethyl)amine, a suitable spacer for phosphate and sulphate receptors

Tris(2-aminoethyl)amine and cis-1,3,5-tris(aminomethyl)cyclohexane have been checked as spacers for phosphate receptors.Ureas are better binding arms then thioureas for these spacers while the combination of this first functional group with chromenone fra

Chloride transport activities of trans- and cis-amide-linked bisureas

Of the bisurea compounds linked through trans- and cis-benzanilide spacers, the cis-amide derivatives were found to be effective in chloride transport, using which a stimuli-responsive mobile carrier was devised. This journal is

Inhibitors of Dengue virus and West Nile virus proteases based on the aminobenzamide scaffold

Dengue and West Nile viruses (WNV) are mosquito-borne members of flaviviruses that cause significant morbidity and mortality. There is no approved vaccine or antiviral drugs for human use to date. In this study, a series of functionalized meta and para aminobenzamide derivatives were synthesized and subsequently screened in vitro against Dengue virus and West Nile virus proteases. Four active compounds were identified which showed comparable activity toward the two proteases and shared in common a meta or para(phenoxy)phenyl group. The inhibition constants (Ki) for the most potent compound 7n against Dengue and West Nile virus proteases were 8.77 and 5.55 μM, respectively. The kinetics data support a competitive mode of inhibition of both proteases by compound 7n. This conclusion is further supported by molecular modeling. This study reveals a new chemical scaffold which is amenable to further optimization to yield potent inhibitors of the viral proteases via the combined utilization of iterative medicinal chemistry/structure-activity relationship studies and in vitro screening.