Catalog No.:AA003JNZ

53882-81-8 | 3-Oxo-3-(m-tolyl)propanenitrile

Name: Name:3-Oxo-3-(m-tolyl)propanenitrile
Brand: AABLOCKS
SKU: AA003JNZ
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250mg

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1 week

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$56.00 $39.00

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003JNZ

Chemical Name:

3-Oxo-3-(m-tolyl)propanenitrile

CAS Number:

53882-81-8

Molecular Formula:

C10H9NO

Molecular Weight:

159.1846

MDL Number:

MFCD00067922

SMILES:

N#CCC(=O)c1cccc(c1)C

Properties

BP:

318.6°C at 760 mmHg

Form:

Solid

MP:

73 °C

Storage:

Keep in dry area;2-8℃;

Computed Properties

Complexity:

213

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

1.9

Downstream Synthesis Route

120-33-2

75-05-8

53882-81-8

[1]Hu,Yunzhen;Xia,Qing;Shangguan,Shihao;Liu,Xiaowen;Hu,Yongzhou;Sheng,Rong[Molecules,2012,vol.17,#8,p.9683-9696]

[2]Zheng,Congke;Zhang,Xiaohui;IjazHussain,Muhammad;Huang,Mingming;Liu,Qing;Xiong,Yan;Zhu,Xiangming[TetrahedronLetters,2017,vol.58,#6,p.574-577]

[3]CurrentPatentAssignee:BAYERAG-CH557384,1974,A[Chem.Abstr.,1974,vol.81,#120280][Chem.Abstr.,1974,vol.81,#120280]

53882-81-8

75-07-0

2-(3-Methyl-benzoyl)-butyronitrile

[1]Smallridge,AndrewJ.;Ten,Abilio;Trewhella,MaurieA.[TetrahedronLetters,1998,vol.39,#28,p.5121-5124]

53882-81-8

177272-50-3

(E)-2-1-Hydroxy-1-m-tolyl-meth-(E)-ylidene-4-phenylsulfanyl-3-trifluoromethyl-but-3-enenitrile

[1]Jiang,Biao;Zhang,Fangjiang;Xiong,Wennan[TetrahedronLetters,2002,vol.43,#4,p.665-667]

53882-81-8

3-(3-methylphenyl)-3-oxopropanamide

[1]Gotor,Vicente;Liz,Ramón;Testera,AnaMa[Tetrahedron,2004,vol.60,#3,p.607-618]

[2]Zheng,Congke;Zhang,Xiaohui;IjazHussain,Muhammad;Huang,Mingming;Liu,Qing;Xiong,Yan;Zhu,Xiangming[TetrahedronLetters,2017,vol.58,#6,p.574-577]

143-33-9

51012-64-7

53882-81-8

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.1291-1295

Literature

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