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53934-78-4,MFCD00238136
Catalog No.:AA00DGT6

53934-78-4 | H-Phg-otbu

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$87.00   $61.00
- +
10g
97%
in stock  
$132.00   $92.00
- +
25g
97%
in stock  
$273.00   $191.00
- +
100g
97%
in stock  
$809.00 $567.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DGT6
Chemical Name:
H-Phg-otbu
CAS Number:
53934-78-4
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD00238136
SMILES:
N[C@@H](c1ccccc1)C(=O)OC(C)(C)C
Properties
Properties
 
BP:
280.2°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
1.9  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,#44,p.10879-10888

[1]OrganicLetters,2012,vol.14,#1,p.182-185

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4854-4858

[1]Patent:WO2010/117635,2010,A1,

Downstream Synthesis Route

[1]BulletinoftheChemicalSocietyofJapan,1980,vol.53,p.283-284

[1]JournalofMedicinalChemistry,1994,vol.37,p.3294-3302

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.10879-10888

53934-78-4    2043-61-0   
(R)-1-Cyclohexyl-meth-(E)-ylidene-amino}-phenyl-aceticacidtert-butylester 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.10879-10888

53934-78-4    407-25-0   
(R)-Phenyl-(2,2,2-trifluoro-acetylamino)-aceticacidtert-butylester 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1997,p.247-249

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:53934-78-4 Molecular Formula|53934-78-4 MDL|53934-78-4 SMILES|53934-78-4 H-Phg-otbu
Catalog No.: AA00DGT6
53934-78-4,MFCD00238136
53934-78-4 | H-Phg-otbu
Pack Size： 250mg
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 97%
in stock
$26.00 $18.00
Pack Size： 5g
Purity： 97%
in stock
$87.00 $61.00
Pack Size： 10g
Purity： 97%
in stock
$132.00 $92.00
Pack Size： 25g
Purity： 97%
in stock
$273.00 $191.00
Pack Size： 100g
Purity： 97%
in stock
$809.00 $567.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DGT6
Chemical Name: H-Phg-otbu
CAS Number: 53934-78-4
Molecular Formula: C12H17NO2
Molecular Weight: 207.2689
MDL Number: MFCD00238136
SMILES: N[C@@H](c1ccccc1)C(=O)OC(C)(C)C
Properties
BP: 280.2°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 214  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
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: 1.9  
Upstream Synthesis Route
875-74-1    115-11-7    53934-78-4 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,#44,p.10879-10888

540-88-5    875-74-1    53934-78-4 

[1]OrganicLetters,2012,vol.14,#1,p.182-185

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4854-4858

53934-78-4    50890-96-5 

[1]Patent:WO2010/117635,2010,A1,

Downstream Synthesis Route
53934-78-4    72087-11-7    76314-24-4    73537-60-7 

[1]BulletinoftheChemicalSocietyofJapan,1980,vol.53,p.283-284

5891-45-2    53934-78-4    161878-65-5 

[1]JournalofMedicinalChemistry,1994,vol.37,p.3294-3302

875-74-1    115-11-7    53934-78-4 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.10879-10888

53934-78-4    2043-61-0   
(R)-1-Cyclohexyl-meth-(E)-ylidene-amino}-phenyl-aceticacidtert-butylester 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.10879-10888

53934-78-4    407-25-0   
(R)-Phenyl-(2,2,2-trifluoro-acetylamino)-aceticacidtert-butylester 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1997,p.247-249

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