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2-甲氧基苯乙酸 | 93-25-4

2-甲氧基苯乙酸
2-Methoxyphenylacetic acid
93-25-4
C9H10O3
166.173902988434
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-甲氧基苯乙酸结构式
7134
2-甲氧基苯乙酸价格
名称和标识符
MDL MFCD00004321
InChIKey IVEWTCACRDEAOB-UHFFFAOYSA-N
Inchi 1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
SMILES O=C(CC1C(OC)=CC=CC=1)O
BRN 2047573
别名信息
- 中文别名 -
  • 2-甲氧基苯乙酸
  • 2-Methoxyphenylacetic Acid 2-甲氧基苯乙酸
  • 2-甲氧基***
  • 2-甲氧基苯基乙酸
  • 2-甲氧基苯乙酸,2-Methoxyphenylacetic acid
  • 邻甲氧基苯乙酸
- 英文别名 -
  • 2-Methoxyphenylacetic acid
  • 2-Methyl Phenylacetic Acid
  • 2-(2-methoxyphenyl)acetic acid
  • 2-Methoxybenzeneacet
  • 2-Methoxybenzeneacetic Acid
  • o-Methoxyphenylaceticacid
  • Ortho Methoxyl Phenyl Acetic Acid
  • Benzeneacetic acid, 2-methoxy-
  • 2-methoxyphenylaceticacid
  • (o-Methoxyphenyl)acetic acid
  • (2-Methoxyphenyl)acetic acid
  • Acetic acid, (o-methoxyphenyl)-
  • (2-methoxy-phenyl)-acetic acid
  • IVEWTCACRDEAOB-UHFFFAOYSA-N
  • Q63408954
  • o-METHOXYPHENYLACETIC ACID
  • 2-?Methoxyphenylacetic acid
  • 2-methoxyphenyl acetic acid
  • 2-methoxy-phenylacetic
  • 2-Methoxybenzeneacetic acid (ACI)
  • Acetic acid, (o-methoxyphenyl)- (6CI, 7CI, 8CI)
  • [2-(Methyloxy)phenyl]acetic acid
  • NSC 110708
  • NSC 16257
  • o-Anisylacetic acid
  • o-Methoxybenzeneacetic acid
  • 2-Methoxybenzeneacetic acid
物化性质
实验特性
LogP 1.32230
PSA 46.53000
折射率 1.5101 (estimate)
水溶性 溶解
沸点 254.38°C (rough estimate)
熔点 123.0 to 125.0 deg-C
闪点 117.1℃
FEMA 2768
溶解度 9.2g/l
颜色与性状 浅黄色结晶粉末。
溶解性 未确定。
密度 1.1708 (rough estimate)
计算特性
精确分子量 166.06300
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 3
同位素质量 166.062994
重原子数量 12
复杂度 156
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) 1.5
互变异构体数量
表面电荷 0
拓扑分子极性表面积 46.5
国际标准相关数据
EINECS 110708
海关数据
海关编码 29189090
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%

合成路线

合成路线:1 步

反应条件:
参考文献:
Oxidation of primary alcohols to carboxylic acids with sodium chlorite catalyzed by tempo and bleach: 4-methoxyphenylacetic acid
Zhao, Matthew M.; Li, Jing; Mano, Eiichi; Song, Zhiguo J.; Tschaen, David M., Organic Syntheses, 2005, 81, 195-203

合成路线:1 步

反应条件:
参考文献:
An efficient method for one-carbon elongation of aryl aldehydes via their dibromoalkene derivatives
Huh, Dal Ho; Jeong, Ji Sang; Lee, Hee Bong; Ryu, Hoejin; Kim, Young Gyu, Tetrahedron, 2002, 58(50), 9925-9932

合成路线:1 步

反应条件:
参考文献:
Oxidation process of alcohols using periodic acid and chromium catalyst
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
A novel chromium trioxide catalyzed oxidation of primary alcohols to the carboxylic acids
Zhao, Mangzhu; Li, Jing; Song, Zhiguo; Desmond, Richard; Tschaen, David M.; et al, Tetrahedron Letters, 1998, 39(30), 5323-5326

合成路线:1 步

反应条件:
参考文献:
Nickel-Catalyzed Carboxylation of Benzylic C-N Bonds with CO2
Moragas, Toni; Gaydou, Morgane; Martin, Ruben, Angewandte Chemie, 2016, 55(16), 5053-5057

合成路线:1 步

反应条件:
参考文献:
Palladium catalyzed carbonylation of benzyl chlorides: Additive-controlled divergent synthesis of benzyl arylacetates and arylacetic acids
Peng, Jin-Bao ; Wang, Wei-Feng; Wu, Fu-Peng; Ying, Jun; Qi, Xinxin; et al, Journal of Catalysis, 2018, 368, 275-278

合成路线:1 步

反应条件:
参考文献:
Research on synthesis process of methoxyphenamine hydrochloride
Yao, Yi; Liu, Yanbin; Tang, Qian; Zhong, Weihui, Huagong Shengchan Yu Jishu, 2012, 19(1), 7-9

合成路线:1 步

反应条件:
参考文献:
Method for synthesizing benzofuranone from o-cresol
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Studies on oxygen heterocycles. Part 1. Acid catalyzed and photochemical reactions of some aryl diazo ketones
Ghosh, Somnath; Datta, Indira; Chakraborty, Rupak; Das, Tapas Kumar; Sengupta, Judhajit; et al, Tetrahedron, 1989, 45(5), 1441-6

合成路线:1 步

反应条件:
参考文献:
Controlled Anion Migrations with a Mixed Metal Li/K-TMP Amide: General Application to Benzylic Metalations
Fleming, Patricia; O'Shea, Donal F., Journal of the American Chemical Society, 2011, 133(6), 1698-1701

合成路线:1 步

反应条件:
参考文献:
Process for preparation of 8-methoxy-3,4-dihydro-1H-2-naphthalenone
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of phenylacetic acid derivatives and intermediate products.
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Palladium-Catalyzed α-Arylation of Dimethyl Malonate and Ethyl Cyanoacetate with o-Alkoxybromobenzenes for the Synthesis of Phenylacetic Acid, Esters and Phenylacetonitriles
Civicos, Jose F.; Costa, Paulo R. R.; Domingos, Jorge L. O., SynOpen, 2017, 1(1), 0091-0096

合成路线:1 步

反应条件:
参考文献:
Synthesis of Carboxylic Acids, Esters, and Amides from 1,1-Dibromoalkenes via Oxidation of Alkynyl Boronate Intermediates
Tao, Lei; Yang, Wen; Zhao, Wanxiang, ChemistrySelect, 2021, 6(33), 8532-8536

合成路线:1 步

反应条件:
参考文献:
Metal-free, catalytic regioselective oxidative conversion of vinylarenes: a mild approach to phenylacetic acid derivatives
Kodumuri, Srujana; Peraka, Swamy; Mameda, Naresh; Chevella, Durgaiah; Banothu, Rammurthy; et al, RSC Advances, 2016, 6(8), 6719-6723

合成路线:1 步

反应条件:
参考文献:
Oxidation of primary alcohols in the presence of TEMPO
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Oxidation of Primary Alcohols to Carboxylic Acids with Sodium Chlorite Catalyzed by TEMPO and Bleach
Zhao, Mangzhu; Li, Jing; Mano, Eiichi; Song, Zhiguo; Tschaen, David M.; et al, Journal of Organic Chemistry, 1999, 64(7), 2564-2566

合成路线:1 步

反应条件:
参考文献:
Preparation of ο-hydroxyphenylacetic acid
Levine, Joseph; Eble, T. E.; Fischbach, Henry, Journal of the American Chemical Society, 1948, 70,

合成路线:1 步

反应条件:
参考文献:
Method for preparing carboxylic acid from 1,1-dibromoalkene by one-pot method
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Intermolecular acylation. III. The preparation and ring closure of the α-(methoxyphenyl)glutaric acids
Hey, D. H.; Nagdy, K. A., Journal of the Chemical Society, 1953, 1894, 1894-9
相关文献
专业数据库参考
PubChemId 7134
参考资料
Reaxys RN 2047573
Beilstein 10,188
化合物详情(旧版)

SMILES

OC(=O)CC1C(OC)=CC=CC=1

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