93670-18-9 (3-(4-溴苯氧基)丙酸,3-(4-bromophenoxy)propanoic acid)

CAS号:
93670-18-9
中文名称:
3-(4-溴苯氧基)丙酸
英文名称:
3-(4-bromophenoxy)propanoic acid
分子式:
C9H9BrO3
分子量:
245.069962263107

3-(4-溴苯氧基)丙酸(93670-18-9)名称与标识符

名称

中文别名:
3-(4-溴苯氧基)丙酸;
英文别名:
3-(4-bromophenoxy)propanoic acid;3-(4-bromo-phenoxy)-propionic acid;3-(4-Brom-phenoxy)-propionsaeure;3-(4-Bromophenoxy)propanoic acid (ACI);Propionic acid, 3-(p-bromophenoxy)- (5CI);3-(4-Bromophenoxy)propionic acid;EN300-36302;3-(4-bromophenoxy)propanoicacid;SCHEMBL1822418;AKOS000131718;93670-18-9;MFCD02295727;SY123396;Z240085156;CS-0157428;AN-829/13156514;IGFOICGMVYKSCD-UHFFFAOYSA-N;DA-25207;AB01330730-02;NCGC00336795-01;DTXSID50428679;AS-61073;

标识符

MDL:
MFCD02295727
InChIKey:
IGFOICGMVYKSCD-UHFFFAOYSA-N
Inchi:
1S/C9H9BrO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
SMILES:
O=C(CCOC1C=CC(Br)=CC=1)O

3-(4-溴苯氧基)丙酸(93670-18-9)物化性质

实验特性

  • LogP : 2.30260
  • PSA : 46.53000

计算特性

  • 精确分子量 : 243.97400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 243.97351g/mol
  • 重原子数量 : 13
  • 复杂度 : 164
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.1
  • 拓扑分子极性表面积 : 46.5Ų

3-(4-溴苯氧基)丙酸(93670-18-9)海关数据

海关编码:
2918990090
海关数据:

中国海关编码:

2918990090

概述:

2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-(4-溴苯氧基)丙酸(93670-18-9)推荐厂家 更多厂家(15)

3-(4-溴苯氧基)丙酸(93670-18-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Preparation method of 6-bromo-4-hydro chromone
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Acid activated montmorillonite K-10 mediated intramolecular acylation: simple and convenient synthesis of 4-chromanones
Begum, Ayisha F.; Balasubramanian, Kalpattu K.; Shanmugasundaram, Bhagavathy, Tetrahedron Letters, 2021, 82,
合成路线:1 步
反应条件:
参考文献:
Synthesis of β-(aryloxy)propionic acids and chroman-4-ones under microwave irradiation
Li, Hong-ya; Liu, Hui-min; Wu, Guo-jiang; Li, Shu-na; Hao, Qing-hong; et al, Hebei Daxue Xuebao, 2008, 28(4), 399-402
合成路线:1 步
反应条件:
参考文献:
Preparation of anthracene compounds as organic electroluminescent device materials
, Korea, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of spiro azole compounds as inhibitors of beta-secretase
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of pyrrolo[2,3-b]pyridines or pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Efficient Synthesis of Chromones with Alkenyl Functionalities by the Heck Reaction
Patonay, Tamas; Vasas, Attila; Kiss-Szikszai, Attila; Silva, Artur M. S.; Cavaleiro, Jose A. S., Australian Journal of Chemistry, 2010, 63(11), 1582-1593
合成路线:1 步
反应条件:
参考文献:
Chroman-like compound as antiarrhythmic agent and its preparation
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Investigation on the Surface-Confined Self-Assembly Stabilized by Hydrogen Bonds of Urea and Amide Groups: Quantitative Analysis of Concentration Dependence of Surface Coverage
Nishitani, Nobuhiko; Hirose, Takashi; Matsuda, Kenji, Chemistry - An Asian Journal, 2015, 10(9), 1926-1931
合成路线:1 步
反应条件:
参考文献:
Preparation of 1H-indazole derivatives as HSD17B13 inhibitors and uses thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Asymmetric Hydroboration of 2H-Chromenes Using a Chiral Diphosphine Ligand
Li, Xiufen; Wang, Chaoqiong; Song, Jianqiao; Yang, Zhihong; Zi, Guofu ; et al, Journal of Organic Chemistry, 2019, 84(13), 8638-8645
合成路线:1 步
反应条件:
参考文献:
Hydrated ferric sulfate-catalyzed reactions of indole with aldehydes, ketones, cyclic ketones, and chromanones: Synthesis of bisindoles and trisindoles
Noland, Wayland E.; Kumar, Honnaiah Vijay; Flick, Grant C.; Aspros, Cole L.; Yoon, Jong Hyeon; et al, Tetrahedron, 2017, 73(27-28), 3913-3922
合成路线:1 步
反应条件:
参考文献:
Synthesis, evaluation and in silico molecular modeling of pyrrolyl-1,3,4-thiadiazole inhibitors of InhA
Joshi, Shrinivas D.; More, Uttam A.; Koli, Deepshikha; Kulkarni, Manoj S.; Nadagouda, Mallikarjuna N.; et al, Bioorganic Chemistry, 2015, 59, 151-167
合成路线:1 步
参考文献:
Benzofuran- and benzothiophenecarboxylic acid derivatives
, European Patent Organization, , ,

3-(4-溴苯氧基)丙酸(93670-18-9)参考资料

Reaxys RN:
PubChem CID: