苯甲酰乙酸乙酯

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货号 (SKU)	包装规格	是否现货
E107010-10g	10g	期货
E107010-25g	25g	现货
E107010-100g	100g	现货
E107010-500g	500g	现货

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羧酸盐 (915) 非杂环砌块 (8209)

基本描述

别名	3-氧代苯丙酸乙酯
英文别名	STR00545 \| K8CHJ4MKM0 \| W-100219 \| CAS-94-02-0 \| DTXSID4047094 \| BRN 0389944 \| Q27282091 \| 3-oxo-3-phenylpropionic acid ethyl ester \| 3-oxo-3-phenyl-propionic acid ethyl ester \| CS-W007617 \| Ethyl benzoylacetate, redist., >=97.0% (HPLC) \| NSC 227214 \| 3-O
规格或纯度	≥95%
英文名称	Ethyl benzoylacetate
储存温度	充氩
运输条件	常规运输
产品介绍	能与乙醇、乙醚混溶，不溶于水,能随水蒸气挥发，在空气中和日光下变黄，具有令人愉快的气味。用于有机合成。 Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate.It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives. Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate.It was also used to synthesize iodonium ylides.

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

PubChem SID	504751263
EC号	202-295-3
分子类型	小分子
IUPAC Name	ethyl 3-oxo-3-phenylpropanoate
INCHI	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChi Key	GKKZMYDNDDMXSE-UHFFFAOYSA-N
Canonical SMILES	CCOC(=O)CC(=O)C1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CC(=O)C1=CC=CC=C1
WGK Germany	2
RTECS	AF4878000
PubChem CID	7170
分子量	192.21
Beilstein号	389944
Reaxy-Rn	389944

溶解性	Miscible with ethanol and ether. Immiscible with water.
密度	1.11
敏感性	对光及空气敏感
折光率	1.52
闪点(℉)	284 °F
闪点(℃)	140℃
沸点	265-270°C
分子量	192.210 g/mol
XLogP3	1.900
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	192.079 Da
单同位素质量Monoisotopic Mass	192.079 Da
拓扑极表面积Topological Polar Surface Area	43.400 Å²
重原子数Heavy Atom Count	14
形式电荷Formal Charge	0
复杂度Complexity	205.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

WGK Germany	2
RTECS	AF4878000
Reaxy-Rn	389944
Merck Index	3767
个人防护装备	Eyeshields,Gloves,half-mask respirator (EU),half-mask respirator (US),multi-purpose combination respirator cartridge (US)

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找到9个结果

批号(Lot Number)	证书类型	日期	货号
E2129145	分析证书	25-03-03	E107010
E2129147	分析证书	25-03-03	E107010
C2004096	分析证书	23-12-18	E107010
K1913077	分析证书	23-09-04	E107010
G2307743	分析证书	22-05-31	E107010
G2307745	分析证书	22-05-31	E107010
H2211050	分析证书	22-05-31	E107010
H2211133	分析证书	22-05-31	E107010
H2211134	分析证书	22-05-31	E107010

1. Junyi Tang, Yuanyuan Ren, Jiachun Feng. (2022) Fluorescence-color-changing biomimetic tough films with simultaneous shape-deformation triggered by pH. CHEMICAL ENGINEERING JOURNAL, 440 (135932). [10.1016/j.cej.2022.135932]
2. Zixu Zhang, Zikun Wang, Hongliang Mu, Xin Wang, Yunhui Li, Jingling Yan, Zhen Wang. (2018) A novel approach to 1,2,3-triazole grafted chitosans via modified Wolff’s cyclocondensation. EUROPEAN POLYMER JOURNAL, 98 (492). [10.1016/j.eurpolymj.2017.11.047]

1. Tsugio Kitamura, Satoshi Kuriki, Mohammad Hasan Morshed, Yuji Hori,. (2011-04-09) A practical and convenient fluorination of 1,3-dicarbonyl compounds using aqueous HF in the presence of iodosylbenzene.. Organic letters, 13 ((9)): ( 2392-2394 ). [PMID:21473585]
2. Junyi Tang, Yuanyuan Ren, Jiachun Feng. (2022) Fluorescence-color-changing biomimetic tough films with simultaneous shape-deformation triggered by pH. CHEMICAL ENGINEERING JOURNAL, 440 (135932). [10.1016/j.cej.2022.135932]
3. Zixu Zhang, Zikun Wang, Hongliang Mu, Xin Wang, Yunhui Li, Jingling Yan, Zhen Wang. (2018) A novel approach to 1,2,3-triazole grafted chitosans via modified Wolff’s cyclocondensation. EUROPEAN POLYMER JOURNAL, 98 (492). [10.1016/j.eurpolymj.2017.11.047]