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20731-95-7,MFCD02683214
Catalog No.:AA00CB12

20731-95-7 | (R)-α-(Hydroxymethyl)benzeneacetic acid methyl ester

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100mg
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250mg
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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:
AA00CB12
Chemical Name:
(R)-α-(Hydroxymethyl)benzeneacetic acid methyl ester
CAS Number:
20731-95-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD02683214
SMILES:
COC(=O)C(c1ccccc1)(O)C
Properties
Computed Properties
 
Complexity:
185  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Dochnahl,Maximilian;Fu,GregoryC.[AngewandteChemie-InternationalEdition,2009,vol.48,p.2391-2393][Angew.Chem.,Int.Ed.,2009,vol.121,p.2427-2429]

[2]Bonneretal.[JournaloftheAmericanChemicalSociety,1952,vol.74,p.5082,5085]Stephenson[JournaloftheChemicalSociety,1957,p.1928]

[1]Saquet,M.;Thuillier,A.[BulletindelaSocieteChimiquedeFrance,1966,p.3969-3977]

[2]Chang,Meng-Yang;Chen,Shui-Tein;Chang,Nein-Chen[Tetrahedron,2002,vol.58,#18,p.3623-3628]

[3]Beddow,JamesE.;Davies,StephenG.;Ling,KennethB.;Roberts,PaulM.;Russell,AngelaJ.;Smith,AndrewD.;Thomson,JamesE.[OrganicandBiomolecularChemistry,2007,vol.5,#17,p.2812-2825]

[1]Creary,Xavier;Wang,You-Xiong[JournalofOrganicChemistry,1992,vol.57,#17,p.4761-4765]

[1]Prisinzano,Thomas;Hsin,Ling-Wei;Folk,JohnE.;Flippen-Anderson,JudithL.;George,Clifford;Jacobson,ArthurE.;Rice,KennerC.[TetrahedronAsymmetry,2003,vol.14,#21,p.3285-3289]

[2]Kolasa,Teodozyj;Miller,MarvinJ.[JournalofOrganicChemistry,1987,vol.52,#22,p.4978-4984]

[3]CurrentPatentAssignee:PFIZERINC-EP898562,2003,B1

[1]Yamazaki,Yoshimitsu;Yusa,Shiro;Kageyama,Yu-Ichi;Tsue,Hirohito;Hirao,Ken-Ichi;Okuno,Hiroaki[JournalofFluorineChemistry,1996,vol.79,#2,p.167-171]

Literature
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Tags:20731-95-7 Molecular Formula|20731-95-7 MDL|20731-95-7 SMILES|20731-95-7 (R)-α-(Hydroxymethyl)benzeneacetic acid methyl ester