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2046-17-5,MFCD00043756
Catalog No.:AA0029IW

2046-17-5 | Methyl 4-phenylbutanoate

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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$28.00   $20.00
- +
5g
97%
in stock  
$112.00   $78.00
- +
25g
97
in stock  
$430.00   $301.00
- +
100g
97%
in stock  
$1,607.00   $1,125.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0029IW
Chemical Name:
Methyl 4-phenylbutanoate
CAS Number:
2046-17-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00043756
SMILES:
COC(=O)CCCc1ccccc1
NSC Number:
133895
FEMA Number:
2739
Properties
Computed Properties
 
Complexity:
148  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.8  

Downstream Synthesis Route

[1]DeTar;Weis[JournaloftheAmericanChemicalSociety,1956,vol.78,p.4296,4300]

[2]Weber,W.P.etal.[JournalofOrganicChemistry,1971,vol.36,p.1620-1626]

[3]Bhalerao,V.K.;Nanjundiah,B.S.;Sonawane,H.R.;Nair,P.M.[Tetrahedron,1986,vol.42,#5,p.1487-1496]

[4]Roda,Gabriella;Riva,Sergio;Danieli,Bruno[TetrahedronAsymmetry,1999,vol.10,#20,p.3939-3949]

[5]Chakraborty,Soumi;Das,Arpan;Mandal,SwadhinK.[ChemicalCommunications,2021,vol.57,#94,p.12671-12674]

[1]Nakamura,Satoshi;Sugimoto,Hiromichi;Ohwada,Tomohiko[JournalofOrganicChemistry,2008,vol.73,#11,p.4219-4224]

[2]Gilmore[JournaloftheAmericanChemicalSociety,1951,vol.73,p.5879]

67-56-1    300-57-2    201230-82-2   
methyl2-methyl-3-phenylpropionate 
  2046-17-5 

[1]Vieira,TiagoO.;Green,MikeJ.;Alper,Howard[OrganicLetters,2006,vol.8,#26,p.6143-6145]

[2]Chenal,Thomas;Naigre,Ruth;Cipres,Isabelle;Kalck,Philippe;Daran,Jean-Claude;Vaissermann,Jacqueline[JournaloftheChemicalSociety.Chemicalcommunications,1993,#9,p.747-750]

[3]Chenal,Thomas;Naigre,Ruth;Cipres,Isabelle;Kalck,Philippe;Daran,Jean-Claude;Vaissermann,Jacqueline[JournaloftheChemicalSociety.Chemicalcommunications,1993,#9,p.747-750]

[4]Li,Haoquan;Dong,Kaiwu;Jiao,Haijun;Neumann,Helfried;Jackstell,Ralf;Beller,Matthias[NatureChemistry,2016,vol.8,#12,p.1159-1166]

[1]Yoshida;Matsunaga;Murata;Isoe[Tetrahedron,1991,vol.47,#4-5,p.615-624]

[2]Yoshida,Jun-ichi;Matsunaga,Shin-ichiro;Isoe,Sachihiko[TetrahedronLetters,1989,vol.30,#2,p.219-222]

[1]Padwa,Albert;Austin,DavidJ.;Price,AlanT.;Semones,MarkA.;Doyle,MichaelP.;Protopopova,MarinaN.;Winchester,WilliamR.;Tran,Andrea[JournaloftheAmericanChemicalSociety,1993,vol.115,#19,p.8669-8680]

[2]Chen,Zhiwei;Aota,Yusuke;Nguyen,HillaryM.H.;Dong,VyM.[AngewandteChemie-InternationalEdition,2019,vol.58,#14,p.4705-4709][Angew.Chem.,2019,vol.131,p.4753-4757,5]

Literature
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