3-溴丙酮酸乙酯 | 70-23-5
中文名称:
3-溴丙酮酸乙酯
英文名称:
ethyl 3-bromo-2-oxopropanoate
CAS No.:
70-23-5
分子式:
C5 H7 BrO3
分子量:
195.0113
名称和标识符
MDL
MFCD00000204
InChIKey
VICYTAYPKBLQFB-UHFFFAOYSA-N
Inchi
1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
SMILES
BrC([H])([H])C(C(=O)OC([H])([H])C([H])([H])[H])=O
BRN
1760158
别名信息
- 中文别名 -
3-溴丙酮酸乙酯
溴代丙酮酸乙酯
乙基溴乙酸酯
溴丙酮酸乙酯
乙基溴乙酸酯(溴代丙酮酸乙酯)
溴代丙酮酸乙酯78﹪
3-溴丙酮酸乙酯, TECH
3-溴***酸乙酯
3-溴丙酮酸乙酯 3-溴代丙酮酸乙酯
溴代***酸乙酯
- 英文别名 -
Ethyl 3-bromo-2-oxopropanoate
BROMOPYRUVIC ACID ETHYL ESTER
ETHYL 3-BROMOPYRUVATE
3-bromo-2-oxo-propanoicaciethylester
beta-Bromopyruvic acid ethyl ester
Pyruvic acid, bromo-, ethyl ester
Ethylbromopyruvate (Tech)
Propanoic acid, 3-bromo-2-oxo-, ethyl ester
ETHYL3-BROMO-2-OXOPROPANOATE(ETHYLBROMOPYRUVATE)
Ethyl 3-bromo-2-oxopropanoat
2-Oxo-3-bromopropanoic acid ethyl ester
3-Bromo-2-oxopropanoic acid ethyl ester
3-Bromo-2-oxopropionic acid ethyl ester
Bromopyruvic acid ethyl
Ethyl bromopyruvate
Ethyl bromopyruvate, tech grade
Ethyl 3-bromo-2-oxopropanoate, tech
ethyl bromo pyruvate
ethyl 3-bromo-2-oxopropionate
VICYTAYPKBLQFB-UHFFFAOYSA-N
.beta.-Bromopyruvic acid ethyl ester
3-bromo-2-oxo-propionic acid ethyl ester
ethyl bromopy-ruvate
ethyl bromo-pyruvate
ethyl-3-br
Bromopyruvic acid ethyl ester
NCIOpen2_003812
ethyl 3-bromo-2-ketopropionate
3-bromo-2-oxopropionic acid ethyl ester
NCGC00346824-01
F0001-1814
Ethyl 3-bromo-2-oxopropanoate #
CS-W008597
EN300-20603
NSC62182
STR00638
W-206711
ethylbrompyruvat-
C5H7BrO3
GTPL10952
BP-20640
ethyl 3-bromo-oxopropanoate
AMY866
Ethyl 3-bromopyruvate
3-bromo-2-oxopropanoic acid, ethyl ester
UNII-VJ4Z94MM35
3-bromo-2-oxopropanoic acid ethyl ester
ethyl-3-brompyruvate
AC-410
W-104564
NSC 62182
MFCD00000204
EINECS 200-729-6
ethyl 3-bromo-2-oxopropanate
NSC-62182
C5-H7-Br-O3
DTXSID4058780
SCHEMBL71304
FT-0615252
70-23-5
STL185590
Ethyl3-bromo-2-oxopropanoate
VJ4Z94MM35
CHEMBL3185574
AKOS005258152
ethyl-3-bromo pyruvate
Ethyl bromopyruvate, technical grade, 90%
NS00037025
Ethyl bromopyruvate (>90%)
Ethyl 3-Bromopyruvate (>80%)
Ethyl 3-Bromopyruvate (Technical Grade)
Ethyl bromopyruvate (<90%)
物化性质
实验特性
LogP
0.51350
PSA
43.37000
折射率
n20/D 1.469(lit.)
沸点
98-100 °C/10 mmHg(lit.)
熔点
79 - 82 C
闪点
华氏:210.2 °F 摄氏:99 °C
溶解度
Difficult to mix.
颜色与性状
无色液体。
溶解性
未确定。
敏感性
Moisture Sensitive
密度
1.554 g/mL at 25 °C(lit.)
计算特性
精确分子量
193.95800
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
4
同位素质量
193.958
重原子数量
9
复杂度
121
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)
1.2
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
43.4
海关数据
海关编码
29183000
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%
生产方法和用途
用途
有机合成。
生产方法
1.由乳酸乙酯经氧化、溴化而得:将乳酸乙酯、NBS(N-溴代十二酰亚胺)及四氯化碳加入干燥的反应锅中,搅拌下加热回流5.5h。冷却过滤,滤液蒸去四氯化碳,减压蒸馏,收集71~73℃(0.67kPa)馏分,即为溴代丙酮酸乙酯。2.制法:
于装有搅拌器、温度计、回流冷凝器的反应瓶中,加入新蒸过的乳酸乙酯(2)66g(0.56mol),四氯化碳900mL,NBS200g(1.14mol),水浴加热至(77...
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上游
5-氨基咪唑并[1,2-a]吡啶-2-羧酸乙酯
ethyl 8-bromo-imidazo[1,2-a]pyridine-2-carboxylate
2-(3-氯苯基)-噻唑-4-羧酸乙酯
2-(2-氯苯基)-噻唑-4-羧酸乙酯
乙基-三氟甲基苯基1,3-噻唑-4-甲酸
氟(苯硫基)乙腈
3-溴咪唑并[1,2-a]吡啶-2-甲酸乙酯
2-氨基咪唑-5-甲酸乙酯
2-氨基恶唑-4-羧酸乙酯
5-氨基-1H-吡咯-2,4-二甲酸二乙酯
六氯丙烯
乙基8-氯-6-(三氟甲基)咪唑并[1,2-A]吡啶-2-羧酸乙酯
4-[4-(乙氧羰基)-1,3-噻唑-2-基]四氢-1(2H)-吡啶羧酸叔丁酯
咪唑并[1,2-A]吡啶-2-羧酸乙酯
6-硝基咪唑[1,2-A]吡啶-2-羧酸乙酯
2-氯噁唑-4-羧酸乙酯
2-(4-甲氧基苯基)-噻唑-4-羧酸乙酯
2-(4-氯苯基)-噻唑-4-羧酸乙酯
2-氨基-5-溴噻唑-4-甲酸乙酯
7-甲基-5,6,7,8-四氢咪唑并[1,2-a]吡嗪-2-羧酸乙酯
6-氯咪唑并[1,2-b]哒嗪-2-甲酸乙酯
2-甲基噻唑-4-甲酸乙酯
咪唑[1,2-a]嘧啶-2-羧酸乙酯
咪唑并[1,2-a]嘧啶-3-羧酸乙酯
5-甲基咪唑并[1,2-a]吡啶-2-羧酸乙酯
6-溴咪唑并[1,2-a]吡啶-2-羧酸乙酯
6-氯咪唑并[1,2-a]吡啶-2-羧酸乙酯
8-甲基咪唑并[1,2-a]吡啶-2-羧酸乙酯
乙基-6-甲基咪唑并[1,2-a]吡啶-2-羧酸乙酯
7-甲基咪唑并[1,2-a]吡啶-2-羧酸乙酯
咪唑并[1,2-a]吡嗪-2-甲酸乙酯
2-(3-溴苯基)-噻唑-4-羧酸乙酯
3-溴-2,2-二乙氧基-丙酸乙酯
2-(二甲基氨基甲基)-4-噻唑羧酸乙酯
8-溴-6-甲基咪唑并[1,2-a]吡啶-2-羧酸乙酯
2-氧代-2,3-二羟基噁唑-4-羧酸乙酯
2-(4-溴苯基)-噻唑-4-羧酸乙酯
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