19271-90-0,MFCD06655706
Catalog No.:AA002G6J

19271-90-0 | 2-(2-(tert-Butyl)phenoxy)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$16.00   $12.00
- +
250mg
95%
in stock  
$26.00   $19.00
- +
1g
95%
in stock  
$65.00   $46.00
- +
5g
95%
in stock  
$275.00   $192.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002G6J
Chemical Name:
2-(2-(tert-Butyl)phenoxy)acetic acid
CAS Number:
19271-90-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD06655706
SMILES:
OC(=O)COc1ccccc1C(C)(C)C
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route
19271-90-0    22876-17-1   
2-(2-(tert-butyl)phenoxy)-N-(2-oxo-2,3-dihydrobenzodoxazol-6-yl)acetamide 

[1]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[2]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

55717-46-9    19271-90-0   
2-(2-(tert-butyl)phenoxy)-N-(5-hydroxypyridin-2-yl)acetamide 

[1]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[2]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:19271-90-0 Molecular Formula|19271-90-0 MDL|19271-90-0 SMILES|19271-90-0 2-(2-(tert-Butyl)phenoxy)acetic acid
Catalog No.: AA002G6J
19271-90-0,MFCD06655706
19271-90-0 | 2-(2-(tert-Butyl)phenoxy)acetic acid
Pack Size: 100mg
Purity: 95%
in stock
$16.00 $12.00
Pack Size: 250mg
Purity: 95%
in stock
$26.00 $19.00
Pack Size: 1g
Purity: 95%
in stock
$65.00 $46.00
Pack Size: 5g
Purity: 95%
in stock
$275.00 $192.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA002G6J
Chemical Name: 2-(2-(tert-Butyl)phenoxy)acetic acid
CAS Number: 19271-90-0
Molecular Formula: C12H16O3
Molecular Weight: 208.2536
MDL Number: MFCD06655706
SMILES: OC(=O)COc1ccccc1C(C)(C)C
Properties
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
19271-90-0    22876-17-1   
2-(2-(tert-butyl)phenoxy)-N-(2-oxo-2,3-dihydrobenzodoxazol-6-yl)acetamide 

[1]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[2]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

55717-46-9    19271-90-0   
2-(2-(tert-butyl)phenoxy)-N-(5-hydroxypyridin-2-yl)acetamide 

[1]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[2]Hua,Lan;Liu,Minghui;Liu,Yang;Lu,Haigen;Ma,Weinan;Tang,Yefeng;Wang,Gelin;Wang,Leibo;Wu,Chou;Xi,Shuang;Yao,Hong;Zhang,Ruoxi;Zu,Yumeng[EuropeanJournalofMedicinalChemistry,2022,vol.236]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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