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28659-81-6,MFCD00044943
Catalog No.:AA002VXU

28659-81-6 | (S)-2-Chloro-4-methyl-n-valeric acid

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1g
95% GC
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$53.00   $37.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002VXU
Chemical Name:
(S)-2-Chloro-4-methyl-n-valeric acid
CAS Number:
28659-81-6
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
MDL Number:
MFCD00044943
SMILES:
Cl[C@H](C(=O)O)CC(C)C
Properties
Properties
 
BP:
228°C at 760 mmHg  
Form:
Liquid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
101  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route
61-90-5   
(S)-2-chloro-4-methylvalericacid 

[1]Nisar,Bushra;Raza,AbdulRauf;Black,DavidStc.;Kumar,Naresh;Tahir,MuhammadNawaz[Chirality,2013,vol.25,#12,p.865-870]

[2]Saddiqa,Aisha;Raza,AbdulR.;Black,DavidStc.;Kumar,Naresh[TetrahedronAsymmetry,2014,vol.25,#9,p.736-743]

[3]Raza,AbdulRauf;Saddiqa,Aisha;Çakmak,Osman[Chirality,2015,vol.27,#12,p.951-957]

[4]Bradshaw,JeraldS.;Huszthy,Peter;McDaniel,ChristopherW.;Zhu,ChengY.;Dalley,N.Kent;etal.[JournalofOrganicChemistry,1990,vol.55,#10,p.3129-3137]

[5]Yelamaggad,ChannabasaveshwarV.;Shanker,Govindaswamy[Tetrahedron,2008,vol.64,#17,p.3760-3771]

[6]Koppenhoefer,Bernhard;Schurig,Volker[OrganicSyntheses,1988,vol.66,p.151-151]

[7]Locationinpatent:schemeortableMontagnat,OliverD.;Lessene,Guillaume;Hughes,AndrewB.[JournalofOrganicChemistry,2010,vol.75,#2,p.390-398]

[8]Tanasova,Marina;Yang,Qifei;Olmsted,CourtneyC.;Vasileiou,Chrysoula;Li,Xiaoyong;Anyika,Mercy;Borhan,Babak[EuropeanJournalofOrganicChemistry,2009,#25,p.4242-4253]

[9]Kunz,Horst;Lerchen,Hans-Georg[TetrahedronLetters,1987,vol.28,#17,p.1873-1876]

[10]CurrentPatentAssignee:CHEMFABFLORA-DE348671,1922,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1435][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.14,p.1435]

[11]Watabe,K.;Chang,S.-C.;Gil-Av,E.;Koppenhoefer,B.[Synthesis,1987,#3,p.225-228]

[12]Sierra;Serrano;Ros;Ezcurra;Zubía[JournaloftheAmericanChemicalSociety,1992,vol.114,#20,p.7645-7651]

[13]Schacht,Jochen;Baethge,Heike;Giesselmann,Frank;Zugenmaier,Peter[JournalofMaterialsChemistry,1998,vol.8,#3,p.603-612]

[14]Cui,Yong-Mei;Li,Jing-Ya;Chen,Ling-Ling;Li,Jia;Ye,Qi-Zhuang;Nan,Fa-Jun[BioorganicandMedicinalChemistry,2004,vol.12,#11,p.2853-2861]

[15]Soltysiak,JoannaT.;Bialecka-Florjanczyk,Ewa;Kowalczyk,Ewa;Przedmojski,Jan[MolecularCrystalsandLiquidCrystals,2004,vol.411,p.217/

[1259]-230/

[1272]]

[16]Locationinpatent:experimentalpartDekeukeleire,Stijn;Dhooghe,Matthias;Toernroos,KarlW.;DeKimpe,Norbert[JournalofOrganicChemistry,2010,vol.75,#17,p.5934-5940]

[17]Raza,AbdulRauf;Nisar,Bushra;Khalid,Muhammad;Gondal,HumairaYasmeen;Khan,MuhammadUsman;deAlcântaraMorais,SaraFigueirêdo;Tahir,MuhammadNawaz;Braga,AtaualpaAlbertCarmo[SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,2020,vol.230]

Literature
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SDS
Tags:28659-81-6 Molecular Formula|28659-81-6 MDL|28659-81-6 SMILES|28659-81-6 (S)-2-Chloro-4-methyl-n-valeric acid