93489-08-8

Basic information

• Product Name: 2-Methoxybenzyl isocyanate
• Synonyms: 2-METHOXYBENZYL ISOCYANATE 97;2-Methoxybenzyl isocyanate;1-(isocyanatoMethyl)-2-Methoxybenzene
• CAS NO: 93489-08-8
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 93489-08-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 231-232 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.060 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0463mmHg at 25°C
• Refractive Index: n20/D 1.5285(lit.)
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Sparingly), DMSO (Slightly)
• Stability: Moisture Sensitive
• CAS DataBase Reference: 2-Methoxybenzyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methoxybenzyl isocyanate(93489-08-8)
• EPA Substance Registry System: 2-Methoxybenzyl isocyanate(93489-08-8)

Safety Data

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36-45
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 93489-08-8(Hazardous Substances Data)

Usage

Uses

1-(Isocyanatomethyl)-2-methoxybenzene is a useful reagent for the preparation of amidopropanoic acids as inhibitors of integrin alpha 2 beta 1

InChI:InChI=1/C9H9NO2/c1-12-9-5-3-2-4-8(9)6-10-7-11/h2-5H,6H2,1H3

Upstream product

• 93-25-4 2-methoxyphenylacetic acid 
• 6850-57-3 2-methoxybenzylamine 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1161825-79-1 3-(2-methoxybenzyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide 
• 1342276-72-5 1-(2-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea 
• 1437999-81-9 N-(2-methoxybenzyl)benzisothiazol-3-one-2-amide 
• 1173660-22-4 C₁₆H₂₄N₂O₄ 
• 1401335-00-9 (S)-2-[3-(2-methoxybenzyl)ureido]-4-methylpentanoic acid hydroxyamide 
• 1279696-24-0 C₂₃H₂₀N₄O₃ 
• 1261167-87-6 C₂₃H₂₀N₆O₃ 
• 1261168-04-0 1-(2-methoxybenzyl)-4-(1-(4-methoxybenzyl)-5-amino-1H-imidazol-4-yl)-5-imino-1H-imidazol-2(5H)-one 
• 1262526-92-0 N-acetyl-S-(o-methoxybenzylcarbamoyl)cysteine 
• 917889-32-8 3-(2-methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester 
• 960541-21-3 1,3-bis{[2-(methyloxy)phenyl]methyl}-2,4,6(1H,3H,5H)-pyrimidinetrione 
• 271598-01-7 5-amino-4-cyano-2-hydroxy-1-(2-methoxybenzyl)imidazole 

Relevant articles and documents

Amide compound, pharmaceutical composition, preparation method and application thereof

The invention provides an amide compound, a pharmaceutical composition, a preparation method and application thereof and belongs to the field of medicine. Structure of the amide compound is shown as aformula I. The preparation method includes: in an alkaline condition and in an organic solvent, allowing a compound I and a compound II to be in condensation reaction. The amide compound or pharmaceutically acceptable salt thereof have long-acting sensory and/or motion blocking activity, can be used for preparing long-acting local anesthetic or analgesic and is long in efficacy lasting time, little side effect and high in medication safety.

Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors

A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e.g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis.

Efficient synthesis of 2,9-disubstituted 8-hydroxyadenine derivatives

An efficient and general method for the synthesis of 2,9-disubstituted 8-hydroxyadenines, which are expected to have various biological activities, was realized. 5-amino-4-cyano-2-hydroxyimidazoles(1) were prepared from aminomalononitrile and isocyanates as key intermediates. The condensation of 1a with amidines, imidates, guanidine, urea and thioureas afforded 8-hydroxyadenines (2-6) possessing various substituents at the 2-position. Furthermore, selective alkylation of 2-amino- and 2-hydroxyadenines (4 and 6) successively proceeded to give the corresponding 2-alkylamino- and 2-alkoxyadenines (5 and 7), respectively. 2-Alkythioadenines (15) were prepared by an analogous reaction of 1a with benzoyl isothiocyanate and subsequent S-alkylation. The imidazoles 1 are most useful intermediated for the synthesis of 8-hydroxyadenine derivatives.