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1501-04-8,MFCD00043757
Catalog No.:AA001M9G

1501-04-8 | Methyl 4-benzoylbutyrate

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250mg
97%
in stock  
$19.00   $14.00
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1g
97%
in stock  
$35.00   $25.00
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5g
97%
in stock  
$99.00   $69.00
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10g
97%
in stock  
$178.00   $125.00
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25g
97%
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$344.00   $241.00
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100g
97%
in stock  
$1,075.00   $753.00
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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:
AA001M9G
Chemical Name:
Methyl 4-benzoylbutyrate
CAS Number:
1501-04-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00043757
SMILES:
COC(=O)CCCC(=O)c1ccccc1
Properties
Properties
 
BP:
305.09°C (rough estimate)  
Form:
Solid  
MP:
-2℃  
Refractive Index:
1.5162 (589.3 nm 20℃)  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Allen;Ball[JournaloftheAmericanChemicalSociety,1937,vol.59,p.686,687]

[2]Allen;Ball[JournaloftheAmericanChemicalSociety,1937,vol.59,p.686,687]

[3]Allen;Ball[JournaloftheAmericanChemicalSociety,1937,vol.59,p.686,687]

[4]Allen;Ball[JournaloftheAmericanChemicalSociety,1937,vol.59,p.686,687]

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1944,vol.64,p.199    Chem.Abstr.,1951,p.2862

[1]Schlegel,Marcel;Schneider,Christoph[OrganicLetters,2018,vol.20,#10,p.3119-3123]

[2]Downham,Robert;Edwards,PaulJ.;Entwistle,DavidA.;Hughes,AndrewB.;Kim,KunSoo;Ley,StevenV.[TetrahedronAsymmetry,1995,vol.6,#10,p.2403-2440]

[3]Periasamy,Mariappan;Gurubrahamam,Ramani;Muthukumaragopal,GopalP.[TetrahedronAsymmetry,2013,vol.24,#9-10,p.568-574]

[4]Pulipaka,AravindaB.;Bergmeier,StephenC.[JournalofOrganicChemistry,2008,vol.73,#4,p.1462-1467]

[5]CurrentPatentAssignee:SOOCHOWUNIVERSITY(SUZHOU)-CN112552171,2021,ALocationinpatent:Paragraph0057-0058

[6]Cheng,Xionglve;Jiang,Gangzhong;Li,Xingxing;Tao,Suyan;Wan,Xiaobing;Zhao,Yanwei;Zheng,Yonggao[EuropeanJournalofOrganicChemistry,2021,vol.2021,#18,p.2713-2718]

[7]Mourelle-Insua,Ángela;Zampieri,LuizArthur;Lavandera,Iván;Gotor-Fernández,Vicente[AdvancedSynthesisandCatalysis,2018,vol.360,#4,p.686-695]

[8]Shi,Yongjie;Tan,Xuefeng;Gao,Shuang;Zhang,Yao;Wang,Jingxin;Zhang,Xumu;Yin,Qin[OrganicLetters,2020,vol.22,#7,p.2707-2713]

[9]Zheng,Liping;Zhou,Qingmei;Deng,Xianyu;Yuan,Min;Yu,Gang;Cao,Yong[JournalofPhysicalChemistryB,2004,vol.108,#32,p.11921-11926]

[10]CurrentPatentAssignee:WUXIUTMOSTLIGHTTECHNOLOGYCOLTD-CN111875494,2020,ALocationinpatent:Paragraph0055-0056

[11]Shu,Chunying;Xu,Wei;Slebodnick,Carla;Champion,Hunter;Fu,Wujun;Reid,JonathanE.;Azurmendi,Hugo;Wang,Chunru;Harich,LKim;Dorn,HarryC.;Gibson,HarryW.[OrganicLetters,2009,vol.11,#8,p.1753-1756]

[12]Allen;Cressman[JournaloftheAmericanChemicalSociety,1933,vol.55,p.2953,2958]Sugimoto[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1944,vol.64,#4,p.199][Chem.Abstr.,1951,p.2862]

[13]Pasto,D.J.;Serve,M.P.[JournaloftheAmericanChemicalSociety,1965,vol.87,p.1515-1521]Taylor,EdwardC.;Conley,RichardA.;Katz,AlanH;McKillop,Alexander[JournalofOrganicChemistry,1984,vol.49,#20,p.3840-3841]

[14]Din,LailyBin;Meth-Cohn,Otto;Walshe,NigelD.A.[JournaloftheChemicalSociety.PerkintransactionsI,1991,#4,p.781-786]

[15]Pearson,WilliamH.;Walters,MichaelA.;Oswell,KiraD.[JournaloftheAmericanChemicalSociety,1986,vol.108,#10,p.2769-2771]

[16]Hassarajani,S.A.;Dhotare,B.;Chattopadhyay,A.;Mamdapur,V.R.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1998,vol.37,#1,p.80-81]

[17]Hartung,Jens;Greb,Marco[TetrahedronLetters,2003,vol.44,#32,p.6091-6093]

[18]Jong,Ling;Zaveri,Nurulain;Toll,Lawrence[BioorganicandMedicinalChemistryLetters,2004,vol.14,#1,p.181-185]

[19]Locationinpatent:schemeortableStarodubtseva;Turova;Antipova;Vinogradov;Sagirova;Malyshev;Struchkova[RussianChemicalBulletin,2010,vol.59,#7,p.1463-1466]

[20]Jana,Sadhan;Kumar,Sangit;Rathore,Vandana;Verma,Ajay[Synlett,2019,vol.30,#14,p.1667-1672]

[21]Moriyama,Katsuhiko;Kuramochi,Masako;Tsuzuki,Seiji;Fujii,Kozo;Morita,Takeshi[OrganicLetters,2021,vol.23,#2,p.268-273]

[1]Taylor,E.C.;McKillop,A.[JournaloftheAmericanChemicalSociety,1965,vol.87,p.1984-1990]

[1]Lechevallier,A.;Huet,F.;Conia,J.M.[Tetrahedron,1983,vol.39,#20,p.3329-3336]

[2]Huet,Francois;Lechevallier,Andre;Conia,Jean-Marie[ChemistryLetters,1981,p.1515-1518]

Literature
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Tags:1501-04-8 Molecular Formula|1501-04-8 MDL|1501-04-8 SMILES|1501-04-8 Methyl 4-benzoylbutyrate