Name: Name:ETHYL 3,5-DIMETHYLBENZOATE
Brand: AABLOCKS
SKU: AA003Q3Z
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003Q3Z

Chemical Name: ETHYL 3,5-DIMETHYLBENZOATE

CAS Number: 21239-29-2

Molecular Formula: C11H14O2

Molecular Weight: 178.2277

MDL Number: MFCD00015440

SMILES: CCOC(=O)c1cc(C)cc(c1)C

Properties

Form: Liquid

Storage: Keep in dry area;Room Temperature;

Complexity: 167

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: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

499-06-9

64-17-5

21239-29-2

[1]Locationinpatent:experimentalpartDeng,Jing;Li,Ning;Liu,Hongchuan;Zuo,Zhili;Liew,OiWah;Xu,Weijun;Chen,Gang;Tong,Xiankun;Tang,Wei;Zhu,Jin;Zuo,Jianping;Jiang,Hualiang;Yang,Cai-Guang;Li,Jian;Zhu,Weiliang[JournalofMedicinalChemistry,2012,vol.55,#14,p.6278-6293]

[2]Fittig;Brueckner[JustusLiebigsAnnalenderChemie,1868,vol.147,p.50]

[3]Ke,Shaoyong;Li,Zhong;Qian,Xuhong[BioorganicandMedicinalChemistry,2008,vol.16,#16,p.7565-7572]

[4]Locationinpatent:experimentalpartKe,Shaoyong;Qian,Xuhong;Liu,Fengyi;Wang,Ni;Fan,Feng;Li,Zhong;Yang,Qing[EuropeanJournalofMedicinalChemistry,2009,vol.44,#7,p.2985-2993]

[5]Locationinpatent:schemeortableKe,Shao-Yong;Qian,Xu-Hong;Liu,Feng-Yi;Wang,Ni;Yang,Qing;Li,Zhong[EuropeanJournalofMedicinalChemistry,2009,vol.44,#5,p.2113-2121]Locationinpatent:schemeortableKe,Shaoyong;Liu,Fengyi;Wang,Ni;Yang,Qing;Qian,Xuhong[BioorganicandMedicinalChemistryLetters,2009,vol.19,#2,p.332-335]

[6]Wang,Junwei;Song,Qiao;Xu,Anhua;Bao,Yu;Xu,Yungen;Zhu,Qihua[EuropeanJournalofMedicinalChemistry,2017,vol.130,p.15-25]

[7]He,Haifeng;Xia,Hongying;Xia,Qin;Ren,Yanliang;He,Hongwu[BioorganicandMedicinalChemistry,2017,vol.25,#20,p.5652-5661]

[8]He,Guangchao;Peng,Kewen;Song,Qiao;Wang,Junwei;Xu,Anhua;Xu,Yungen;Zhu,Qihua[Bioorganicandmedicinalchemistryletters,2020,vol.30,#13]

21239-29-2

146085-71-4

[1]Collman,JamesP.;Zhang,Xumu;Lee,VirgilJ.;Brauman,JohnI.[JournaloftheChemicalSociety.Chemicalcommunications,1992,#22,p.1647-1649]

[2]Guether,Ralf;Nieger,Martin;Rissanen,Kari;Voegtle,Fritz[ChemischeBerichte,1994,vol.127,#4,p.743-758]

68253-36-1

21239-29-2

3-(3,5-dimethyl-phenyl)-4,5-dihydro-naphtho1,2-<i>c</i>isoxazole

[1]Beam,CharlesF.;Schady,DeborahA.;Rose,KellyL.;KelleyJr.,Wayne;Rakkhit,Ronjay;Hornsby,ChristopherD.;Studer-Martinez,ShannonL.[SyntheticCommunications,2000,vol.30,#18,p.3391-3404]

21239-29-2

27389-49-7

[1]Cao,Song;Qian,Xuhong;Song,Gonghua;Chai,Bing;Jiang,Zhisheng[JournalofAgriculturalandFoodChemistry,2003,vol.51,#1,p.152-155]

[2]Ke,Shaoyong;Li,Zhong;Qian,Xuhong[BioorganicandMedicinalChemistry,2008,vol.16,#16,p.7565-7572]

[3]Locationinpatent:schemeortableKe,Shao-Yong;Qian,Xu-Hong;Liu,Feng-Yi;Wang,Ni;Yang,Qing;Li,Zhong[EuropeanJournalofMedicinalChemistry,2009,vol.44,#5,p.2113-2121]

[4]Locationinpatent:experimentalpartKe,Shaoyong;Qian,Xuhong;Liu,Fengyi;Wang,Ni;Fan,Feng;Li,Zhong;Yang,Qing[EuropeanJournalofMedicinalChemistry,2009,vol.44,#7,p.2985-2993]

[5]Locationinpatent:schemeortableKe,Shaoyong;Liu,Fengyi;Wang,Ni;Yang,Qing;Qian,Xuhong[BioorganicandMedicinalChemistryLetters,2009,vol.19,#2,p.332-335]

[6]He,Haifeng;Xia,Hongying;Xia,Qin;Ren,Yanliang;He,Hongwu[BioorganicandMedicinalChemistry,2017,vol.25,#20,p.5652-5661]

27464-82-0

21239-29-2

1-(3,5-Dimethylphenyl)-2-5-methyl-1,3,4-thiadiazol-2-ylethanon

[1]Kantlehner,Willi;Haug,Erwin;Kinzy,Willy;Scherr,Oliver;Ivanov,IvoC.[ZeitschriftfurNaturforschung,B:ChemicalSciences,2004,vol.59,#4,p.366-374]

21239-29-2 | ETHYL 3,5-DIMETHYLBENZOATE