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3-二甲氨基丙烯醛 | 927-63-9

3-二甲氨基丙烯醛
3-(Dimethylamino)acrolein
927-63-9
C5H9NO
99.1310613155365
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-二甲氨基丙烯醛结构式
638320
名称和标识符
MDL MFCD00006999
InChIKey RRLMPLDPCKRASL-UHFFFAOYSA-N
Inchi 1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3
SMILES O=CC=CN(C)C
别名信息
- 中文别名 -
  • 3-二甲氨基丙烯醛
  • N,N-(二甲氨基)丙烯醛
  • 3-(二甲氨基)丙烯醛
  • 3二甲胺基丙烯醛
  • N'N-二甲氨基丙烯醛
  • 3-(二甲氨基)-2-丙烯醛
  • 3-二甲胺基丙烯醛
  • N,N-(二甲基)丙烯醛
- 英文别名 -
  • 3-Dimethylaminoacrylaldehyde
  • 3-(Dimethylamino)-acrolein
  • 3-Dimethylaminoacrolein
  • 3-(Dimethylamino)acrolein
  • 4-(benzyloxy)-2-chloro-3-Methoxybenzaldehyde
  • N,N-Dimethylaminoacrylaldehyde
  • (2E)-3-(Dimethylamino)-2-propenal
  • 2-Propenal,3-(dimethylamino)
  • 3-(Dimethylamino)-2-propenal
  • 3-(Dimethylamino)propenal
  • 3-(N,N-dimethylamino)acrolein
  • 3-DiMethylaMinoacrol
  • Einecs 213-157-7
  • N,N-dimethylamino-2-propen-1-al
  • n,n-dimethylamino-2-propen-3-al
  • 3-(Dimethylamino)acrylaldehyde
  • 2-Propenal, 3-(dimethylamino)-
  • (E)-3-(dimethylamino)acrylaldehyde
  • .beta.-(Dimethylamino)acrolein
  • RRLMPLDPCKRASL-ONEGZZNKSA-N
  • (2E)-3-(dimethylamino)prop-2-enal
  • 3-Dimethylamino Acrolein
  • 3-(dimethylamino)prop-2-enal
  • 3-(Dimethylamino)-2-propenal (ACI)
  • Acrolein, 3-(dimethylamino)- (6CI, 7CI, 8CI)
  • 4-Dimethylamino-2-propen-1-al
  • β-(Dimethylamino)acrolein
  • N,N-Dimethylamino-2-propen-3-al
物化性质
实验特性
LogP 0.26060
PSA 20.31000
折射率 n20/D 1.584(lit.)
沸点 270-273 °C(lit.)
闪点 华氏:235.4 °F
摄氏:113 °C
颜色与性状 未确定
溶解性 未确定
敏感性 对空气敏感
密度 0.99 g/mL at 25 °C(lit.)
计算特性
精确分子量 99.06840
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 2
同位素质量 99.068
重原子数量 7
复杂度 76.1
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 1
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) 0.1
表面电荷 0
拓扑分子极性表面积 20.3
国际标准相关数据
EINECS 213-157-7
海关数据
海关编码 2922399090
海关数据

中国海关编码:

2922399090

概述:

2922399090 其他氨基醛、氨基酮及其盐(包括氨基醌及其盐,但含有一种以上含氧基的除外). 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary:

2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

合成路线

合成路线:1 步

参考文献:
Process for the preparation of piperazinylpyrimidine derivatives
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Nitrodienamines: an easy synthesis and [4 + 2] cycloaddition reactions with α,β-unsaturated carbonyl compounds and quinones
Takeuchi, Naoki; Ohki, Junji; Tobinaga, Seisho, Chemical & Pharmaceutical Bulletin, 1988, 36(2), 481-7

合成路线:1 步

参考文献:
Reaction of β-dimethylaminoacrolein aminal with alcohols and CH acids
Krasnaya, Zh. A.; Stytsenko, T. S., Izvestiya Akademii Nauk SSSR, 1981, (5), 1060-4

合成路线:1 步

参考文献:
Preparation of morpholine-bridged pyrazolopyridine derivatives as stimulators for soluble guanylate cyclase
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Process improvement on the synthesis of 2-chloronicotinic acid
Chen, Zhi-wei; Zheng, Li-dong; Su, Guo-dong, Hecheng Huaxue, 2011, 19(2), 285-286

合成路线:1 步

参考文献:
Stereoselective preparation of erythro-E-3,5-dihydroxy-7-[3'(4"-fluorophenyl)-1'(1"-methylethyl)indol-2'yl]heptenoates
, European Patent Organization, , ,

合成路线:1 步

参考文献:
Preparation of unnatural tellurium analogs of naturally occurring chromones and flavones. Control of ipso vs. ortho acylation, selective demethylation, and olefin-forming condensation reactions in benzo[b]tellurapyranones
Detty, Michael R., Organometallics, 1988, 7(10), 2188-97

合成路线:1 步

参考文献:
The bromination of push-pull olefins. II. The structure of the bromination products
Buergi, Daniel; Sterchi, Alfred; Neuenschwander, Markus, Helvetica Chimica Acta, 1977, 60(7), 2195-207

合成路线:1 步

参考文献:
β-Aziridinoacroleins in reactions with nucleophilic reagents
Eremeev, A. V.; Tikhomirov, D. A.; Tyusheva, V. A.; Liepins, E., Khimiya Geterotsiklicheskikh Soedinenii, 1978, (4), 483-8

合成路线:1 步

参考文献:
Studies on the β-carbonyl compounds connected with β-polyketides. Part VIII. A new aromatic annulation reaction with two synthons, enaminones and 3-oxoglutarate.
Takeuchi, Naoki; Okada, Naomi; Tobinaga, Seisho, Chemical & Pharmaceutical Bulletin, 1983, 31(12), 4355-9

合成路线:1 步

反应条件:
参考文献:
A versatile new synthesis of quinolines and related fused pyridines. Part 12. A general synthesis of 2-chloropyridines and 2-pyridones
Meth-Cohn, Otto; Westwood, Keith T., Journal of the Chemical Society, 1984, (6), 1173-82

合成路线:1 步

参考文献:
Vinyl analog of the Vilsmeier formylation with 3-(dimethylamino)acroleins
Ullrich, F. W.; Breitmaier, E., Synthesis, 1983, (8), 641-5

合成路线:1 步

参考文献:
Thermolysis of polyazapentadienes. Part 9. Gas phase thermolyses of some dienamines, enaminones, and enaminothiones
Hickson, Clare L.; McNab, Hamish, Journal of the Chemical Society, 1988, (2), 339-42

合成路线:1 步

参考文献:
The spectra and structure of some α-oxo-hydrazones (azaenaminones)
McNab, Hamish, Journal of Chemical Research, 1979, (4),

合成路线:1 步

反应条件:
参考文献:
Red-fluorescent argininamide-type NPY Y1 receptor antagonists as pharmacological tools
Keller, Max; Erdmann, Daniela; Pop, Nathalie; Pluym, Nikola; Teng, Shangjun; et al, Bioorganic & Medicinal Chemistry, 2011, 19(9), 2859-2878

合成路线:1 步

反应条件:
参考文献:
Synthesis of aminals and aminal acetals of α-functionalized β-(dimethylamino)acroleins
Krasnaya, Zh. A.; Stytsenko, T. S.; Bogdanov, V. S., Izvestiya Akademii Nauk SSSR, 1988, (1), 106-11

合成路线:1 步

反应条件:
参考文献:
A versatile new synthesis of quinolines and related fused pyridines. Part 5. The synthesis of 2-chloroquinoline-3-carboxaldehydes
Meth-Cohn, Otto; Narine, Bramha; Tarnowski, Brian, Journal of the Chemical Society, 1981, (5), 1520-30

合成路线:1 步

参考文献:
An ultrasonic wave method for synthesis of 2-halogenated nicotinic acid ester and its intermediate
, China, , ,

合成路线:1 步

参考文献:
Chemistry of 1,5-diazapentadienium (vinamidinium) salts: alkylation reactions to multifunctional dienamines and dienaminones
Nair, Vasu; Cooper, Curt S., Journal of Organic Chemistry, 1981, 46(23), 4759-65

合成路线:1 步

参考文献:
Studies on peroxidized lipids. I. Interaction of malonaldehyde with secondary amines and its relevance to nitrosamine formation
Kikugawa, Kiyomi; Tsukuda, Koichi; Kurechi, Tsutao, Chemical & Pharmaceutical Bulletin, 1980, 28(11), 3323-31
专业数据库参考
PubChemId 638320
参考资料
Reaxys RN 969389
Beilstein 969389
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