2-氧代-4-苯基丁酸 | 710-11-2
中文名称:
2-氧代-4-苯基丁酸
英文名称:
2-Oxo-4-phenylbutanoic Acid
CAS No.:
710-11-2
分子式:
C1 0 H1 0 O3
分子量:
178.1846
名称和标识符
MDL
MFCD00969471
InChIKey
PPKAIMDMNWBOKN-UHFFFAOYSA-N
Inchi
1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
SMILES
O=C(C(=O)O[H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
别名信息
- 中文别名 -
2-氧代-4-苯基丁酸
Α-氧代苯丁酸
苯丁酮酸
2-氧-4-苯基丁酸
2-Oxo-4-phenylbutyric Acid 2-氧-4-苯基丁酸
2-氧代-4-苯基丁酸电话
2-氧代-4-苯基丁酸乙酯
4-苯基丁酸
α-酮基-4-苯基丁酸
- 英文别名 -
2-Oxo-4-phenylbutanoic acid
OPBA
2-oxo-4-phenyl butan
BENZYLPYRUVIC ACID
CHEMBRDG-BB 4013598
2-OXO-4-PHENYL-BUTYRIC ACID
A-CARBONYLPHENYLBUTYRIC ACID
ALPHA-CARBONYL PHENYL BUTYRIC ACID
α-CARBONYLPHENYLBUTYRIC ACID
2-OXO-4-PHENYL BUTANOIC ACID OPBA
4-Phenyl-2-oxobutanoic acid
4-Phenyl-2-oxobutyric acid
2-Oxo-4-phenylbutyric Acid
2-oxo-4-phenylbutanoic acid(SALTDATA: FREE)
Butyricacid, 2-oxo-4-phenyl- (6CI,7CI,8CI)
4-Phenyl-2-oxobutyricacid
2-oxo-4-phenyl-butanoic acid
Benzenebutanoic acid, alpha-oxo-
2-Oxo-4-phenylbutanoate
oxobenzenebutanoic acid
PubChem18755
Benzenebutanoic acid, a-oxo-
KSC497Q3R
2-oxo-4-phenyl butyric acid
4-Phenyl-2-Ketobutanoic Acid
PPKAIMDMNWBOKN-UHFFFAOYSA-N
A
2-Oxo-4-phenylbutyric acid
Benzylpyruvic acid
FT-0632864
2-Oxo-4-phenylbutanoicacid
Z1201620725
EINECS 211-916-7
SCHEMBL258545
CS-W019322
2-Oxo-4-phenyl-butyric acid
DS-3613
EN300-143516
AC-3539
DTXSID10221224
2-OXO-4-PHENYL-BUTYRICACID
MFCD00969471
2-oxo-4-phenylbutanoic acid
CHEMBL16281
710-11-2
2-oxo-4-phenyl-butyric acid, AldrichCPR
4-phenyl-2-oxobutanoic acid
4-phenyl-2-oxobutyric acid
C20327
CHEBI:181422
NS00037138
Y9E
AKOS005174543
W-104537
O0389
benzylpyruvic acid
BDBM50125828
物化性质
实验特性
LogP
1.27290
PSA
54.37000
折射率
1.547
沸点
314.4°C at 760 mmHg
熔点
47.0 to 51.0 deg-C
闪点
158.1 °C
颜色与性状
白色晶体
密度
1.212
计算特性
精确分子量
178.06300
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
4
同位素质量
178.063
重原子数量
13
复杂度
192
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)
1.6
拓扑分子极性表面积
54.4
海关数据
海关编码
2918300090
海关数据
中国海关编码:
2918300090
概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(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: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
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
相关文献
1.
Enantioselective synthesis of pyrazolone derivatives catalysed by a chiral squaramide catalyst
Jun-Hua Li,Da-Ming Du RSC Adv. 2014 4 14538
2.
Structure-guided engineering of meso-diaminopimelate dehydrogenase for enantioselective reductive amination of sterically bulky 2-keto acids
Xinkuan Cheng,Xi Chen,Jinhui Feng,Qiaqing Wu,Dunming Zhu Catal. Sci. Technol. 2018 8 4994
3.
Enzymatic asymmetric synthesis of chiral amino acids
Ya-Ping Xue,Cheng-Hao Cao,Yu-Guo Zheng Chem. Soc. Rev. 2018 47 1516
4.
Engineering of a keto acid reductase through reconstructing the substrate binding pocket to improve its activity
Di-Chen Wang,Heng Li,Shu-Ning Xia,Ya-Ping Xue,Yu-Guo Zheng Catal. Sci. Technol. 2019 9 1961
5.
Photoinduced decarboxylative 1,6-addition of para-quinone methides with α-keto acids: an eco-friendly approach to α,α′-diarylated ketones
Chen He,Yingfang Zhong,Huiqi Han,Qi Wang,Lijing Xu,Ting Zhang,Yaqiong Hu,Qitong Huang,Jun Liu,Min Yang New J. Chem. 2022 46 21032
6.
Industrial biotechnology—the future of green chemistry?
Stefanie Wenda,Sabine Illner,Annett Mell,Udo Kragl Green Chem. 2011 13 3007
7.
Semi-rational hinge engineering: modulating the conformational transformation of glutamate dehydrogenase for enhanced reductive amination activity towards non-natural substrates
Xinjian Yin,Yayun Liu,Lijun Meng,Haisheng Zhou,Jianping Wu,Lirong Yang Catal. Sci. Technol. 2020 10 3376
8.
Visible-light-promoted acridine red catalyzed aerobic oxidative decarboxylative acylation of α-oxo-carboxylic acids with quinoxalin-2(1H)-ones
Pengli Bao,Fei Liu,Yufen Lv,Huilan Yue,Jiang-Sheng Li,Wei Wei Org. Chem. Front. 2020 7 492
9.
Polyethylenimine: a very useful ionic polymer in the design of immobilized enzyme biocatalysts
Jose J. Virgen-Ortíz,José C. S. dos Santos,ángel Berenguer-Murcia,Oveimar Barbosa,Rafael C. Rodrigues,Roberto Fernandez-Lafuente J. Mater. Chem. B 2017 5 7461
10.
Structure-guided evolution of carbonyl reductase for efficient biosynthesis of ethyl (R)-2-hydroxy-4-phenylbutyrate
Wen Tang,Lulu Chen,Jian Deng,Yuyao Kuang,Chao Chen,Bo Yin,Hualei Wang,Jinping Lin,Dongzhi Wei Catal. Sci. Technol. 2020 10 7512
参考资料
Reaxys RN
2093217
Beilstein
O159999
960化工网为您提供2-氧代-4-苯基丁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.:710-11-2,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