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79023-51-1,MFCD00608546
Catalog No.:AA005NB2

79023-51-1 | 1,3,3-Trimethyl-3,4-dihydroisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
>98.0%(GC)(T)
in stock  
$138.00   $97.00
- +
1g
>98.0%(GC)(T)
in stock  
$163.00   $114.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005NB2
Chemical Name:
1,3,3-Trimethyl-3,4-dihydroisoquinoline
CAS Number:
79023-51-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD00608546
SMILES:
CC1=NC(C)(C)Cc2c1cccc2
Properties
Properties
 
BP:
125°C/14mmHg(lit.)  
Form:
Liquid  
Refractive Index:
1.5420 to 1.5460  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
227  
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:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]ChemistryofHeterocyclicCompounds,1987,vol.23,p.790-792    KhimiyaGeterotsiklicheskikhSoedinenii,1987,p.963-965

[2]Patent:EP1433789,2004,A1.Locationinpatent:Page14

[1]ChemistryofHeterocyclicCompounds,1982,vol.18,p.320-320

[1]ChemistryofHeterocyclicCompounds,1990,vol.26,p.909-913    KhimiyaGeterotsiklicheskikhSoedinenii,1990,p.1086-1091

[2]Synthesis,1997,p.677-680

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,p.1268-1272    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,p.1405-1410

79023-51-1    1113-69-5   
4-amino-6,6-dimethyl-2,2-bis(trifluoromethyl)-3-cyano-6,7-dihydro-2H-benzo<a>quinolizine 

[1]Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,p.1474-1476    IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,p.1888-1892

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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SDS
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Tags:79023-51-1 Molecular Formula|79023-51-1 MDL|79023-51-1 SMILES|79023-51-1 1,3,3-Trimethyl-3,4-dihydroisoquinoline
Catalog No.: AA005NB2
79023-51-1,MFCD00608546
79023-51-1 | 1,3,3-Trimethyl-3,4-dihydroisoquinoline
Pack Size： 250mg
Purity： >98.0%(GC)(T)
in stock
$138.00 $97.00
Pack Size： 1g
Purity： >98.0%(GC)(T)
in stock
$163.00 $114.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005NB2
Chemical Name: 1,3,3-Trimethyl-3,4-dihydroisoquinoline
CAS Number: 79023-51-1
Molecular Formula: C12H15N
Molecular Weight: 173.2542
MDL Number: MFCD00608546
SMILES: CC1=NC(C)(C)Cc2c1cccc2
Properties
BP: 125°C/14mmHg(lit.)  
Form: Liquid  
Refractive Index: 1.5420 to 1.5460  
Storage: Keep in dry area;2-8℃;  
Complexity: 227  
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: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
79023-51-1    79-37-8    113417-34-8 

[1]ChemistryofHeterocyclicCompounds,1987,vol.23,p.790-792    KhimiyaGeterotsiklicheskikhSoedinenii,1987,p.963-965

[2]Patent:EP1433789,2004,A1.Locationinpatent:Page14

79023-51-1    58303-62-1    82381-01-9 

[1]ChemistryofHeterocyclicCompounds,1982,vol.18,p.320-320

79023-51-1    67-66-3    132092-61-6 

[1]ChemistryofHeterocyclicCompounds,1990,vol.26,p.909-913    KhimiyaGeterotsiklicheskikhSoedinenii,1990,p.1086-1091

[2]Synthesis,1997,p.677-680

79023-51-1    13089-11-7    129762-48-7 

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1990,vol.39,p.1268-1272    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1990,p.1405-1410

79023-51-1    1113-69-5   
4-amino-6,6-dimethyl-2,2-bis(trifluoromethyl)-3-cyano-6,7-dihydro-2H-benzo<a>quinolizine 

[1]Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,p.1474-1476    IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,p.1888-1892

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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