18908-07-1

Basic information

• Product Name: 3-METHOXYPHENYL ISOCYANATE
• Synonyms: m-anisyl isocyanate;3-Anisyl isocyanate.;3-Methoxyphenyl isocyanate,99%;3-Methoxyphenyl isocyanate, 99% 25GR;3-Methoxyphenyl isocyanate, 99% 5GR;3-Isocyanatoanisole, 1-Isocyanato-3-methoxybenzene, 3-Isocyanatophenyl methyl ether;3-Methoxyphenyl isocyanate 99%;Benzene, 1-isocyanato-3-methoxy-
• CAS NO: 18908-07-1
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• EINECS: 242-658-3
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 18908-07-1.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 94-95 °C10 mm Hg(lit.)
• Flash Point: 205 °F
• Appearance: Clear colorless to slightly pink/Liquid
• Density: 1.138 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.125mmHg at 25°C
• Refractive Index: n20/D 1.543(lit.)
• Storage Temp.: 0-10°C
• Sensitive: Moisture Sensitive
• BRN: 775986
• CAS DataBase Reference: 3-METHOXYPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHOXYPHENYL ISOCYANATE(18908-07-1)
• EPA Substance Registry System: 3-METHOXYPHENYL ISOCYANATE(18908-07-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-36/37/39-45
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 18908-07-1(Hazardous Substances Data)

Usage

Description

3-Methoxyphenyl isocyanate is an organic compound characterized as a clear colorless to slightly pink liquid. It is a versatile chemical intermediate that plays a significant role in the synthesis of various complex organic molecules, particularly in the pharmaceutical and chemical industries.

Uses

Used in Pharmaceutical Industry:
3-Methoxyphenyl isocyanate is used as a key intermediate for the synthesis of complex organic molecules, such as 1,3-bis(3-methoxyphenyl)-6-methyl-5-(trimethylsilyl)pyrimidine-2,4(1H,3H)-dione. 3-Methoxyphenyl isocyanate serves as a building block for the development of new pharmaceuticals, potentially contributing to the creation of novel drugs with improved therapeutic properties.
Used in Chemical Industry:
In the chemical industry, 3-Methoxyphenyl isocyanate is utilized as a reactive component in the production of various chemical products. Its reactivity and structural features make it a valuable asset in the synthesis of specialty chemicals, polymers, and other materials with specific applications in different sectors.
Overall, 3-Methoxyphenyl isocyanate is a crucial compound in the development of new pharmaceuticals and chemical products, showcasing its importance in both the pharmaceutical and chemical industries.

InChI:InChI=1/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

Upstream product

• 108716-30-9 benzyl (3-methoxyphenyl)carbamate 
• 141-43-5 ethanolamine 
• 5813-86-5 m-methoxybenzamide 
• 536-90-3 m-Anisidine 
• 586-38-9 3-Methoxybenzoic acid 
• 1711-05-3 m-anisoyl chloride 
• 503-38-8 trichloromethyl chloroformate 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 51028-35-4 C₈H₈ClNO₂ 
• 75-44-5 phosgene 
• 3532-20-5 azido(3-methoxyphenyl)methanone 

Downstream Products

• 16460-28-9 N,N'-bis(3-methoxyphenyl)urea 
• 107771-96-0 (3-methoxy-phenyl)-carbamic acid-(2-diethylamino-ethyl ester) 
• 22541-10-2 C₁₀H₁₅N₃O₂ 
• 22546-34-5 C₉H₁₃N₃O₂ 
• 64393-01-7 1-Cyclopropyl-3-(3-methoxyphenyl)-harnstoff 
• 79513-92-1 1-(2,6-Dimethyl-pyrimidin-4-yl)-3-(3-methoxy-phenyl)-urea 
• 100926-77-0 7-quinolyl-3-methoxy carbanilate 
• 146664-13-3 (3-Methoxy-phenyl)-carbamic acid (1S,2S)-2-pyrrolidin-1-yl-cyclohexyl ester; hydrochloride 
• 125767-08-0 1-(5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-yl)-3-(3-methoxy-phenyl)-urea 
• 112418-15-2 5-(3-Methoxy-phenyl)-2,3,5,5a-tetrahydro-1,3a,5,9a-tetraaza-cyclopenta[a]naphthalen-4-one 
• 164589-92-8 5-Benzoylamino-2-[(3-methoxy-phenylcarbamoyl)-(triphenyl-λ⁵-phosphanylidene)-methyl]-6-oxo-6H-pyran-3-carboxylic acid ethyl ester 
• 1026907-50-5 3-(3-Methoxy-phenyliminomethyleneamino)-pyrazine-2-carboxylic acid methyl ester 
• 91099-02-4 1-(4-methoxybenzoyl)-3-(3-methoxyphenyl)urea 
• 37528-25-9 1-(3-methoxyphenyl)-3-propionylurea 

Relevant articles and documents

Synthesis and biological evaluation of novel 4-(4-formamidophenylamino)-N-methylpicolinamide derivatives as potential antitumor agents

A novel series of 4-(4-formamidophenylamino)-N-methylpicolinamide derivatives were synthesized and evaluated against different tumor cell lines. Experiments in vitro showed that these derivatives could inhibit the proliferation of two kinds of human cancer cell lines (HepG2, HCT116) at low micromolar concentrations and the most potent analog 5q possessed broad-spectrum antiproliferative activity. Experiments in vivo demonstrated that 5q could effectively prolong the longevity of colon carcinoma-burdened mice and slow down the progression of cancer cells by suppression of angiogenesis and the induction of apoptosis and necrosis.

With Caspase - 3 inhibitory activity of benzisothiazole - 3 - one - 2 - amide compounds

The invention relates to a benzisothiazole-3-ketone-2-amide compound with Caspase-3 inhibiting activity. The benzisothiazole-3-ketone-2-amide compound has the Caspase-3 inhibiting activity, can be used for treating diseases mediated by Caspase-3, belongs to the field of pharmaceutical chemistry, and has a structural formula (I) as shown in the specification.

Discovery of novel VEGFR-2 inhibitors. Part 5: Exploration of diverse hinge-binding fragments via core-refining approach

Pathological angiogenesis plays a critical role in numerous diseases including malignancy. VEGFR-2 is the central regulators in angiogenesis and has become a promising target for anticancer drug design. We have identified a novel biphenyl-aryl urea incorporated with salicyladoxime (BPS-7) as potent VEGFR-2 inhibitor. As a continuation to our previous research, various aromatic-heterocyclic were introduced as hinge-binding fragment via a core-refining approach. Interestingly, many compounds exhibited comparable VEGFR-2 inhibition to Sorafenib. In particular, 12e and 12o displayed excellent VEGFR-2 inhibitory activity with IC50 values of 0.50 nM and 0.79 nM, respectively. Several title compounds showed considerable antiproliferative activity against A549 and SMMC-7721 cells. In addition, molecular docking was performed to rationalize the efficiency of the better compounds. These results will be instructive for further inhibitor design and optimization.