Catalog No.:AA003EOE

441060-95-3 | 2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile

Name: Name:2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile
Brand: AABLOCKS
SKU: AA003EOE
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250mg

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97%

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$328.00 $230.00

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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:

AA003EOE

Chemical Name:

2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile

CAS Number:

441060-95-3

Molecular Formula:

C11H10ClNO2

Molecular Weight:

223.6556

MDL Number:

MFCD08445711

SMILES:

N#CC(c1ccc(cc1Cl)OC)C(=O)C

Properties

BP:

316.133°C at 760 mmHg

Form:

Solid

MP:

84-86°C

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

284

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

2.1

Downstream Synthesis Route

141-78-6

170737-93-6

441060-95-3

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

[2]Locationinpatent:experimentalpartSaito,Tetsuji;Obitsu,Tetsuo;Kondo,Takashi;Matsui,Toshiaki;Nagao,Yuuki;Kusumi,Kensuke;Matsumura,Naoya;Ueno,Sonoko;Kishi,Akihiro;Katsumata,Seishi;Kagamiishi,Yoshifumi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5432-5445]

50638-46-5

70807-22-6

441060-95-3

[1]Patent:EP1637531,2006,A1.Locationinpatent:Page/Pagecolumn14;15

[2]Patent:EP1637531,2006,A1.Locationinpatent:Page/Pagecolumn15

Literature

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SDS