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1257855-77-8,MFCD12923110
Catalog No.:AA000ON9

1257855-77-8 | tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$26.00   $19.00
- +
250mg
95%
in stock  
$42.00   $30.00
- +
1g
95%
in stock  
$83.00   $58.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000ON9
Chemical Name:
tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number:
1257855-77-8
Molecular Formula:
C15H18F3NO2
Molecular Weight:
301.3041
MDL Number:
MFCD12923110
SMILES:
O=C(N1CCc2c(C1)cc(cc2)C(F)(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
389  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Buchman,Marek;Farney,ElliotP.;Greszler,StephenN.;Altenbach,RobertJ.;Gfesser,GregoryA.;Voight,EricA.[JournalofOrganicChemistry,2022,vol.87,#1,p.776-789]

Literature
Quotation Request
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SDS
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Tags:1257855-77-8 Molecular Formula|1257855-77-8 MDL|1257855-77-8 SMILES|1257855-77-8 tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Catalog No.: AA000ON9
1257855-77-8,MFCD12923110
1257855-77-8 | tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Pack Size： 100mg
Purity： 95%
in stock
$26.00 $19.00
Pack Size： 250mg
Purity： 95%
in stock
$42.00 $30.00
Pack Size： 1g
Purity： 95%
in stock
$83.00 $58.00
Quantity
- +
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Technical Information
Catalog Number: AA000ON9
Chemical Name: tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number: 1257855-77-8
Molecular Formula: C15H18F3NO2
Molecular Weight: 301.3041
MDL Number: MFCD12923110
SMILES: O=C(N1CCc2c(C1)cc(cc2)C(F)(F)F)OC(C)(C)C
Properties
Complexity: 389  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
926280-83-3    102684-91-3    1257855-77-8 

[1]Buchman,Marek;Farney,ElliotP.;Greszler,StephenN.;Altenbach,RobertJ.;Gfesser,GregoryA.;Voight,EricA.[JournalofOrganicChemistry,2022,vol.87,#1,p.776-789]

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