CAS: 351003-01-5; 5-(Isocyanatomethyl)-1,2,3-Trimethoxybenzene

该化合物是一种专门的异丙基异丙胺化合物,其特点是三甲基苯基核心,具有异丙亚甲基功能组.这种结构具有异丙氰酸物的反活动特征,适合聚合合成应用,特别是聚氨酯和聚尿素配方.三甲基乙基替代会增加有机溶解性,并可能影响电子特性,而电子特性在量身定制材料设计中可能具有优势.其异丙烯酸组可以与多元醇或氨进行交叉联系,有助于形成高性能涂层,抗热剂或弹性体.由于化合物对湿度和再活性的潜在敏感性,需要小心处理.

英文名称5-(Isocyanatomethyl)-1,2,3-Trimethoxybenzene
中文名称3,4,5-三甲氧基苄基异氰酸酯
IUPAC名称5-(isocyanatomethyl)-1,2,3-trimethoxybenzene
其它别名3,4,5-Trimethoxybenzyl Isocyanate; 5-(Isocyanatomethyl)-1,2,3-Trimethoxybenzene; Cbxffumfhyjvaw-Uhfffaoysa-N; 3 4 5-Trimethoxybenzyl Isocyanate 97; 3,4,5-Trimethoxybenzyl Isocyanate,
CAS编号351003-01-5
MFCD编号:MFCD03427033
EINECS号:623-988-0
分子式:C11H13NO4
分子量:223.23
产品CID: 1356442
产品分类分析化学 → 标准品 → 分析标准品

相似结构搜索
InChIKey: CBXFFUMFHYJVAW-UHFFFAOYSA-N
InChI=1S/C11H13NO4/c1-14-9-4-8(6-12-7-13)5-10(15-2)11(9)16-3/h4-5H,6H2,1-3H3…
计算化学: 氢键受体数5.0氢键供体数0.0可旋转键数5.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS08;
注释: Exclamation mark & Health hazard
危险类别急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
呼吸道致敏类别1
皮肤致敏类别1
严重眼刺激类别2A
警示词Danger(危险)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
H317 |可能引起皮肤过敏反应.
防范说明P261-P280-P305+P351+P338-P342+P311
危险品标志Xn
安全声明22-26-36/37
危险类别码20/21/22-36/37/38-42
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

3,4,5-trimethoxyphenyl acetic acid 4-oxo-3-(3,4,5-trimethoxybenzyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

合成工艺路线路线简述

3,4,5-三甲氧基苯乙酸置于二苯基磷酸,三乙胺体系中,用 1,2-二氯乙烷用作溶剂,化学反应 4.0H,反应生成3,4,5-三甲氧基苄基异氰酸酯
参考文献:1,2,3,4-Tetrahydro-1,5-Naphthyridines And Related Heterocyclic Scaffolds: Exploration Of Suitable Chemistry For Library Development
标题:1,2,3,4-Tetrahydro-1,5-Naphthyridines And Related Heterocyclic Scaffolds: Exploration Of Suitable Chemistry For Library Development
摘要:The Chemistry Of 1,2,3,4-Tetrahydro-1,5-Naphthyridines And 2,3,4,5-Tetrahydro-1H-Pyrido[3,2-B] Azepines Has Been Explored With The Goal Of Discovering Reactions At N1 Suitable For Library Development. Epoxide Openings,Pd-Catalyzed N-Arylations,Depbt-Promoted Acylations,And Urea Formation Through The Reaction With Isocyanates Were All Successful. The Epoxide Opening Chemistry Using Homochiral Epichlorohydrin Followed By Epoxide Reclosure And A Second Nucleophilic Opening Led To The Preparation Of A Small 24-Membered Library. (C) 2007 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Tet.2007.04.003