Name: Name:(R)-α-(Hydroxymethyl)benzeneacetic acid methyl ester
Brand: AABLOCKS
SKU: AA00CB12
Rating: 90 (10 reviews)

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

Complexity: 185

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 1.3

Downstream Synthesis Route

67-56-1

4607-38-9

20731-95-7

[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]

20731-95-7

1865-29-8

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

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20731-95-7

407-25-0

91399-11-0

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

4607-38-9

74-88-4

20731-95-7

[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]

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

20731-95-7

204457-44-3

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

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