3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER
3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER structure
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Common Name | 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER | ||
|---|---|---|---|---|
| CAS Number | 39778-63-7 | Molecular Weight | 208.25400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H16O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | methyl 3-tert-butyl-4-hydroxybenzoate |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.25400 |
| Exact Mass | 208.11000 |
| PSA | 46.53000 |
| LogP | 2.47630 |
| InChIKey | RRGVVWMIXUBORH-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(O)c(C(C)(C)C)c1 |
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~93%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: Pei, Zhonghua; Li, Xiaofeng; Longenecker, Kenton; Von Geldern, Thomas W.; Wiedeman, Paul E.; Lubben, Thomas H.; Zinker, Bradley A.; Stewart, Kent; Ballaron, Stephen J.; Stashko, Michael A.; Mika, Amanda K.; Beno, David W. A.; Long, Michelle; Wells, Heidi; Kempf-Grote, Anita J.; Madar, David J.; McDermott, Todd S.; Bhagavatula, Lakshmi; Fickes, Michael G.; Pireh, Daisy; Solomon, Larry R.; Lake, Marc R.; Edalji, Rohinton; Fry, Elizabeth H.; Sham, Hing L.; Trevillyan, James M. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3520 - 3535 |
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~%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: Kobashi, Seiichi; Uda, Junichiro; Miyata, Sachiho; Inoue, Tsutomu; Ashizawa, Naoki; Matsumoto, Koji; Taniguchi, Tetsuya; Iwanaga, Takashi; Nagata, Osamu Patent: US2012/184587 A1, 2012 ; Location in patent: Page/Page column 13 ; |
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~%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: MERCK and CO., INC. Patent: WO2007/70433 A2, 2007 ; Location in patent: Page/Page column 58 ; WO 2007/070433 A2 |
|
~89%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: THE WELLCOME FOUNDATION LIMITED Patent: EP728018 B1, 2003 ; |
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~%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: Yuan, Guozan; Zhu, Chengfeng; Liu, Yan; Cui, Yong Chemical Communications, 2011 , vol. 47, # 11 p. 3180 - 3182 |
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~%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: Pei, Zhonghua; Li, Xiaofeng; Longenecker, Kenton; Von Geldern, Thomas W.; Wiedeman, Paul E.; Lubben, Thomas H.; Zinker, Bradley A.; Stewart, Kent; Ballaron, Stephen J.; Stashko, Michael A.; Mika, Amanda K.; Beno, David W. A.; Long, Michelle; Wells, Heidi; Kempf-Grote, Anita J.; Madar, David J.; McDermott, Todd S.; Bhagavatula, Lakshmi; Fickes, Michael G.; Pireh, Daisy; Solomon, Larry R.; Lake, Marc R.; Edalji, Rohinton; Fry, Elizabeth H.; Sham, Hing L.; Trevillyan, James M. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3520 - 3535 |
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~%
3-TERT-BUTYL-4-... CAS#:39778-63-7 |
| Literature: Moreau,G. Bulletin de la Societe Chimique de France, 1972 , p. 2814 - 2817 |
| Precursor 9 | |
|---|---|
| DownStream 1 | |
| 3-t-Butyl-4-hydroxybenzoesaeuremethylester |
| Benzoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,methyl ester |
| 4-Hydroxy-3-tert.butyl-benzoesaeuremethylester |
| 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER |
| 3-(1,1-dimethylethyl)-4-hydroxybenzoic acid methyl ester |
| methyl 3-t-butyl-4-hydroxybenzoate |