m-Dimethoxy benzene 间苯二甲醚

CAS 151-10-0 MFCD00008384

化学结构图

151-10-0
SMILES: COc1cccc(OC)c1

化学属性

Mol. FormulaC8H10O2
Mol. Weight138.16
Density1.055
Refractive index1.5240 to 1.5260
Flash Point88°C
TSCAYes
Boiling Point217.5°C at 760 mmHg
Melting Point-52°C
Solubility不溶于水,溶于丙酮、苯。

别名和识别编码

Chemical Namem-Dimethoxy benzene
Synonym 1,3-Dimethoxybenzene {LY} 1,3-Dimethoxybenzene {} {LY} 1,3-Dimethoxybenzene {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dimethoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number151-10-0
EC Number205-783-4
Beilstein Registry Number6,813
MDL NumberMFCD00008384
PubChem Substance ID9025
Reaxys-RN878582
Chemical Name Translation间苯二甲醚
Wiswesser Line Notation1OR CO1
LabNetwork Molecule IDLN00195432
InChIInChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
Canonical SMILESCOC1=CC(OC)=CC=C1
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分类

  • {SNA} A-D, Alphabetical Listings,
  • {Chemicalbook} 农药中间体: 杀螨剂中间体
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, Kosher Certified Products
  • {SNA} A - D, A-

产品应用

  • Usually used in the synthesis of novel oxathiane spiroketal donors1.

相关文献及参考

  • Short: II/27B
  • Beilstein:6,813
  • Short: III/35C1
  • Is readily metallated at the 2-position by n-BuLi, giving a lithio-derivative which is doubly-stabilized by oxygen coordination. For reviews, see: Org. React., 8, 258 (1954); 26, 1 (1979). The 2-lithio-derivative undergoes silylation, and the resulting silyl derivative reacts with electrophiles to give various 2-substituted products. For examples, see: Tetrahedron, 49, 10843 (1993):
  • Although direct dilithiation with n-BuLi/TMEDA was unsuccessful, a sequence involving monolithiation, silylation and further lithiation at the 4-position gave the 2,4-disilyl derivative in 47% yield: J. Org. Chem., 49, 4657 (1984). For a review of the use of organosilicon intermediates in unusual electrophilic substitutions, see: Synlett, 171 (1993).

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R21 Harmful in contact with skin 与皮肤接触有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P370+P378
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
RTECS\u0009CZ6474000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Hazard Codes Xi
Hazard statements
  • H227 Combustible liquid 可燃液体
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 46,185,1957

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MSDS 信息:1,4-二甲氧基苯(151-10-0).msds
  • 用途二:用作医药中间体
  • 外观性质:有甜苜蓿样香味的无色固体。
  • MOL 文件:151-10-0.mol
  • Hazard Note:Irritant
  • 用途一:用作萘类染料及涂料和塑料的中间体, 也用作肥皂、洗涤剂和油膏的香料。
  • 下游产品:西伯尔链接剂 --> 2-双环己基膦-2',6'-二甲氧基联苯 --> 2-羟基-4-甲氧基-5-磺酸二苯甲酮 --> 2,2'-二羟基-4,4'-二甲氧基二苯甲酮
  • FEMA:2385
  • 图谱信息:1,3-二甲氧基苯(151-10-0)红外图谱(IR2) 1,3-二甲氧基苯(151-10-0)核磁图( 13 CNMR) 1,3-二甲氧基苯(151-10-0)质谱(MS) 1,3-二甲氧基苯(151-10-0)红外图谱(IR1) 1,3-二甲氧基苯(151-10-0)Raman光谱 1,3-二甲氧基苯(151-10-0)核磁图( 1 HNMR)
  • Acros Organics:1,3-二甲氧基苯 1,3-Dimethoxybenzene, 99%(151-10-0)
  • Alfa Aesar:1,3-二甲氧基苯,97+% 1,3-Dimethoxybenzene, 98%(151-10-0)
  • 1,3-二甲氧基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0628 1,3-二甲氧基苯 1,3-Dimethoxybenzene 25G 95元 2014/06/02 D0628 1,3-二甲氧基苯 1,3-Dimethoxybenzene 500G 585元 2010/06/21 155230050 1,3-二甲氧基苯 1,3-Dimethoxybenzene 99% 5 GR 212元
  • 海关编码:29093090
  • 用途三:1,3-二甲氧基苯是合成杀螨剂苯螨特的中间体,还可用于制备紫外吸收剂UV-9。
  • 用途四:用作有机合成中间体,与苯甲酰氯在三氯化铝催化下进行弗-克反应,得到2,4-二甲氧基二苯甲酮。这是紫外线吸收剂UV-9的中间体。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 间二甲氧基苯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 方法一:1,3-二甲氧基苯是由间苯二酚与硫酸二甲酯反应制得。 将间苯二酚与氢氧化钠溶液混合,在搅拌下加入硫酸二甲酯,在26~30℃进行甲基化反应,然后经分离、洗涤、蒸馏而得成品。 在实验室制备中,将间苯二酚(1mol)、200mL甲醇和硫酸二甲酯(1mol)加入反应器,搅拌溶解,用冰盐浴冷却至-5℃,立即加入150g氢氧化钾与350mL水配制的溶液,发生剧烈反应,在3min内即完成甲基化反应。搅拌5min后,加水冲稀,分出油层,水层用乙醚提取,油层和乙醚萃取液合并,水洗,用无水氯化钙干燥,在水浴上回收乙醚后,再用直接火加热蒸馏,收集216~218℃馏分,可得1,3-二甲氧基苯124g,收率90%。
  • TCI Shanghai:1,3-二甲氧基苯 1,3-Dimethoxybenzene,>;99.0%(GC)(151-10-0)
  • 上游原料:氢氧化钾 --> 硫酸二甲酯 --> 无水氯化钙 --> 间苯二酚
  • 溶于乙醇和乙醚,微溶于水。
  • Sigma Aldrich:151-10-0(sigmaaldrich)
  • 方法二:由间苯二酚与硫酸二甲酯反应而得。

系列性分类