邻甲基苯乙酸 | 644-36-0
中文名称:
邻甲基苯乙酸
英文名称:
o-Tolylacetic acid
CAS No.:
644-36-0
分子式:
C9 H1 0 O2
分子量:
150.1745
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:邻甲基苯乙酸结构式
名称和标识符
MDL
MFCD00004328
InChIKey
RZWGTXHSYZGXKF-UHFFFAOYSA-N
Inchi
1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
SMILES
O([H])C(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])=O
BRN
1936952
别名信息
- 中文别名 -
邻甲基苯乙酸
邻甲苯基乙酸
鄰【草(之上)+叨】乙酸
鄰甲苯乙酸
邻甲苯乙酸
2-甲基苯乙酸
邻甲苯醋酸
o-Tolylacetic Acid 邻甲苯乙酸
邻甲基***
甲基苯乙酸
- 英文别名 -
o-Tolylacetic acid
2-METHYLPHENYLACETIC ACID
2-TOLYLACETIC ACID
RARECHEM AL BO 0118
Benzeneacetic acid, 2-methyl-
o-Methylphenylacetic acid
ortho-tolylacetic acid
o-Tolylacetic
o-Tolylessigsure
2-(2-Tolyl)acetic acid
2-(o-Tolyl)acetic acid
2-Methylbenzeneacetic acid
2-(2-methylphenyl)acetic acid
(2-methylphenyl)acetic acid
2-o-tolylacetic acid
2-methylphenyl acetic acid
RZWGTXHSYZGXKF-UHFFFAOYSA-N
NSC16053
o-Tolyacetic acid
toluene-acetic acid
o-tolyl acetic acid
Toluol-Eisessig-Wasser
PubChem20124
2-Methylphenylaceticacid
2-(Carboxymethyl)toluene
o-Tol
2-Methylphenylacetic Acid
BP-12558
AM20060902
InChI=1/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
DTXSID50214650
STR03455
BDBM16423
D71087
NSC-16053
2-Methylphenylacetic acid
F0001-1743
Z104503424
2-Tolylacetic acid
644-36-0
o-Tolylacetic acid, Vetec(TM) reagent grade, 98%
W-104841
AC-509/25002066
FT-0632737
Q63399485
NSC 16053
MFCD00004328
SY003130
NS00035699
AKOS000121046
ORTHO-TOLYLACETIC ACID
UNII-TJ4YXB9N7P
BCP25779
CS-W018151
FS-1024
RZWGTXHSYZGXKF-UHFFFAOYSA-
o-Tolylacetic acid, ReagentPlus(R), 99%
EINECS 211-416-9
TJ4YXB9N7P
O-Tolylaceticacid
AC-2856
EN300-21579
SCHEMBL8285
T0881
ACETIC ACID, O-TOLYL-
2-(o-tolyl)acetic acid
物化性质
实验特性
LogP
1.62210
PSA
37.30000
折射率
1.5470 (estimate)
水溶性
不溶
沸点
279.3℃ at 760 mmHg
熔点
88-90 °C (lit.)
闪点
176.5℃
FEMA
3186
颜色与性状
无色液体。
溶解性
不能与水混溶。
密度
0.9820 (rough estimate)
计算特性
精确分子量
150.06800
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
150.06808
重原子数量
11
复杂度
143
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)
1.9
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
37.3
海关数据
海关编码
2942000000
海关数据
中国海关编码:
2916399090
概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
相关文献
1.
Effect of ortho-substitution on persulfate-mediated decarboxylation and functionalization of arylacetic acids
Joydev K. Laha,Upma Gulati,Saima New J. Chem. 2023 47 15137
2.
CLX.—The formation and reactions of imino-compounds. Part V. The formation of methyl derivatives of 1 : 3-naphthylenediamine from the three tolylacetonitriles
Ernest Francis Joseph Atkinson,Jocelyn Field Thorpe J. Chem. Soc. Trans. 1907 91 1687
3.
Organocatalytic Michael addition–lactonisation of carboxylic acids using α,β-unsaturated trichloromethyl ketones as α,β-unsaturated ester equivalents
Louis C. Morrill,Daniel G. Stark,James E. Taylor,Siobhan R. Smith,James A. Squires,Agathe C. A. D'Hollander,Carmen Simal,Peter Shapland,Timothy J. C. O'Riordan,Andrew D. Smith Org. Biomol. Chem. 2014 12 9016
4.
Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones
Pei-Pei Yeh,David S. B. Daniels,Charlene Fallan,Eoin Gould,Carmen Simal,James E. Taylor,Alexandra M. Z. Slawin,Andrew D. Smith Org. Biomol. Chem. 2015 13 2177
5.
Cu-Catalysed oxidative amidation of cinnamic acids/arylacetic acids with 2° amines: an efficient synthesis of α-ketoamides
Anup Kumar Sharma,Anjali Jaiswal,Krishna Nand Singh Org. Biomol. Chem. 2019 17 9348
6.
FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities
Chinnakuzhanthai Gangadurai,Giri Teja Illa,D. Srinivasa Reddy Org. Biomol. Chem. 2020 18 8459
7.
134. Attempts to find new chemotherapeutic amidines. Part VII
J. O. Harris J. Chem. Soc. 1947 690
8.
263. The hydrolytic fission of aromatic ketones by acids
Peter Hill,W. F. Short J. Chem. Soc. 1935 1123
9.
597. The alkaline hydrolysis of some N-acyl-benzanilides and -benzamides, with a note on the behaviour of N-acylbenzanilides in sulphuric acid
Alex H. Lamberton,A. E. Standage J. Chem. Soc. 1960 2957
10.
Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides
Lena Hesping,Anup Biswas,Constantin G. Daniliuc,Christian Mück-Lichtenfeld,Armido Studer Chem. Sci. 2015 6 1252
参考资料
Reaxys RN
1936952
Beilstein
9,527
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