2-苯丙酸 | 492-37-5
中文名称:
2-苯丙酸
英文名称:
2-Phenylpropionic acid
CAS No.:
492-37-5
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:2-苯丙酸结构式
名称和标识符
MDL
MFCD00002650
InChIKey
YPGCWEMNNLXISK-UHFFFAOYSA-N
Inchi
1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
SMILES
O([H])C(C([H])(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
BRN
1863558
别名信息
- 中文别名 -
2-苯丙酸
2-苯基丙酸
DL苯基丙酸
二苯基丙酸
Α-苯丙酸
Α-甲基苯甲酸
氫阿托酸
氫龍葵酸
Α-甲基苯乙酸
(+/-)-2-苯基丙酸
(±)-2-苯基丙酸
DL-2-苯丙酸
2-二苯基丙酸
DL-2-Phenylpropionic Acid DL-2-苯丙酸
DL-2-苯基丙酸
异苯丙酸
(±)-氢化阿托酸
DL-苯基丙酸
α-苯基丙酸
- 英文别名 -
2-Phenylpropionic acid
ALPHA-METHYLPHENYLACETIC ACID
DL-2-PHENYLPROPIONIC ACID
DL-HYDRATROPIC ACID
(+/-)-HYDRATROPIC ACID
HYDRATROPIC ACID
RARECHEM AL BO 0089
TIMTEC-BB SBB007855
(±)-α-methylphenylaceticacid
(RS)-2-phenylpropionicacid
alpha-Methylbenzeneacetic acid
alpha-methyl-benzeneaceticaci
alpha-Phenylpropionic acid
benzeneaceticacid,α-methyl-
dl-alpha-Phenylpropionic acid
Propanoic acid, 2-phenyl
α-methylbenzeneaceticacid
α-methylphenylaceticacid
(+/-)-2-PHENYLPROPIONIC ACID
(±)-2-Phenylpropanoi
(±)-2-Phenylpropanoic Acid
.α.-Methylbenzeneacetic acid
(+/-)-2-Phenylpropanoic acid
2-Phenylpropanoic acid
dl-α-Phenylpropionic acid
α-Phenylpropionic acid
2-Phenyl-propionic acid
Benzeneacetic acid, .alpha.-methyl-
Hydratropasaeure
2-Phenylpropionate
2-Phenylpropionicacid
(+-)-Hydratropasaeure
(+-)-hydratropic acid
alpha-Phenylpropioic acid
.alpha.-Phenylpropionic acid
.alpha.-Methylphenylacetic acid
Hydratropic Acid
DL-Hydratropic acid
物化性质
实验特性
LogP
1.87470
PSA
37.3
折射率
n20/D 1.522(lit.)
水溶性
10 g/L (20 ºC)
沸点
267°C(lit.)
熔点
5 ºC
闪点
华氏:230 °F 摄氏:110 °C
溶解度
9.9g/l
颜色与性状
无色液体
PH值
3 (5g/l, H2O, 20℃)
溶解性
未确定
密度
1.1 g/mL at 25 °C(lit.)
计算特性
精确分子量
150.0681
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
137
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
1
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
分子量
150.17
相关文献
1.
Asymmetric synthesis. Part III. Stereospecific synthesis of (R)-2-hydroxy-2-phenylpropionic acid, and (R)- and (S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid. Configurational relationship between (R)(–)-2-hydroxy-2-phenylpropionic acid and (S)(+)-2-phenylpropionic acid
T. D. Inch,R. V. Ley,P. Rich J. Chem. Soc. C 1968 1693
2.
Circularly polarized luminescence on dinuclear Tb(iii) and Eu(iii) complexes with (S-) and (R-) 2-phenylpropionate
Berta Casanovas,Francesco Zinna,Lorenzo Di Bari,Mohamed Salah El Fallah,Mercè Font-Bardía,Ramon Vicente Dalton Trans. 2017 46 6349
3.
Synthesis of isotopically labelled 3-amino-2-phenylpropionic acid and its role as a precursor in the biosynthesis of tenellin and tropic acid
Russell J. Cox,David O'Hagan J. Chem. Soc. Perkin Trans. 1 1991 2537
4.
Electrocarboxylation of acetophenone in ionic liquids: the influence of proton availability on product distribution
Shu-Feng Zhao,Mike Horne,Alan M. Bond,Jie Zhang Green Chem. 2014 16 2242
5.
“Thiol–ene” click synthesis of chiral covalent organic frameworks for gas chromatography
Jing-Xuan Guo,Cheng Yang,Xiu-Ping Yan J. Mater. Chem. A 2021 9 21151
6.
Stereochemical studies on aeromatic amino-acids. Part 4. Absolute configuration of 3-Amino-2-phenylpropionic acid
Juan A. Garbarino,Oswaldo Nu?ez J. Chem. Soc. Perkin Trans. 1 1981 906
7.
Towards sustainable kinetic resolution, a combination of bio-catalysis, flow chemistry and bio-based solvents
Andree Iemhoff,James Sherwood,Con R. McElroy,Andrew J. Hunt Green Chem. 2018 20 136
8.
A unique proton coupled electron transfer pathway for electrochemical reduction of acetophenone in the ionic liquid [BMIM][BF4] under a carbon dioxide atmosphere
Shu-Feng Zhao,La-Xia Wu,Huan Wang,Jia-Xing Lu,Alan M. Bond,Jie Zhang Green Chem. 2011 13 3461
9.
FDU-12-C encapsulated t-Bu(R,R)CoII(salen) as a cathode catalyst for asymmetric electrocarboxylation of 1-phenylethyl chloride with CO2
Ying Wang,Rui Xiong,Le-Ting Wang,Hua Liu,Jia-Xing Lu,Huan Wang Catal. Sci. Technol. 2023 13 2370
10.
Chiroptical characterization tools for asymmetric small molecules – experimental and computational approaches for electronic circular dichroism (ECD) and anisotropy spectroscopy
Amanda C. Evans,Andrew S. Petit,Steven G. Guillen,Amanda J. Neukirch,S?ren V. Hoffmann,Nykola C. Jones RSC Adv. 2021 11 1635
参考资料
Reaxys RN
1863558
Beilstein
9,524
960化工网为您提供2-苯丙酸专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:492-37-5,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等