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22960-16-3,MFCD00829440
Catalog No.:AA002LM8

22960-16-3 | Isoquinoline-4-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$7.00   $5.00
- +
250mg
98%
in stock  
$16.00   $12.00
- +
1g
98%
in stock  
$29.00   $20.00
- +
5g
98%
in stock  
$119.00   $83.00
- +
25g
98%
in stock  
$588.00   $412.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002LM8
Chemical Name:
Isoquinoline-4-carbaldehyde
CAS Number:
22960-16-3
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD00829440
SMILES:
O=Cc1cncc2c1cccc2
Properties
Properties
 
BP:
331.7°C at 760 mmHg  
Form:
Solid  
MP:
101-106℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Synonyms
 
  
Upstream Synthesis Route

[1]Tetrahedron,1998,vol.54,#35,p.10317-10328

[2]EuropeanJournalofOrganicChemistry,2009,#26,p.4458-4467

[3]Patent:US2017/37050,2017,A1,.Locationinpatent:Paragraph0346-0349

[1]Patent:WO2005/92885,2005,A1,.Locationinpatent:Page/Pagecolumn60;61

[1]TetrahedronLetters,1999,vol.40,#45,p.7889-7892

[1]AngewandteChemie-InternationalEdition,2013,vol.52,#33,p.8611-8615

[2]Angew.Chem.,2013,vol.125,#33,p.8773-8777,5

[1]Patent:US4584379,1986,A,

Downstream Synthesis Route
495-69-2    22960-16-3   
4-isoquinolin-4-ylmethylene-2-phenyl-4<i>H</i>-oxazol-5-one 

[1]CanadianJournalofChemistry,1963,vol.41,p.2265-2271

[2]EuropeanJournalofMedicinalChemistry,2015,vol.99,p.82-91

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

22960-16-3    52126-35-9    24850-33-7   
1-Allyl-2-((E)-penta-2,4-dienoyl)-1,2-dihydro-isoquinoline-4-carbaldehyde 

[1]JournaloftheAmericanChemicalSociety,1988,vol.110,p.2186

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

Literature
Quotation Request
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SDS
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Tags:22960-16-3 Molecular Formula|22960-16-3 MDL|22960-16-3 SMILES|22960-16-3 Isoquinoline-4-carbaldehyde
Catalog No.: AA002LM8
22960-16-3,MFCD00829440
22960-16-3 | Isoquinoline-4-carbaldehyde
Pack Size： 100mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 250mg
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 1g
Purity： 98%
in stock
$29.00 $20.00
Pack Size： 5g
Purity： 98%
in stock
$119.00 $83.00
Pack Size： 25g
Purity： 98%
in stock
$588.00 $412.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002LM8
Chemical Name: Isoquinoline-4-carbaldehyde
CAS Number: 22960-16-3
Molecular Formula: C10H7NO
Molecular Weight: 157.1687
MDL Number: MFCD00829440
SMILES: O=Cc1cncc2c1cccc2
Properties
BP: 331.7°C at 760 mmHg  
Form: Solid  
MP: 101-106℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
50:   
Upstream Synthesis Route
1532-97-4    68-12-2    22960-16-3 

[1]Tetrahedron,1998,vol.54,#35,p.10317-10328

[2]EuropeanJournalofOrganicChemistry,2009,#26,p.4458-4467

[3]Patent:US2017/37050,2017,A1,.Locationinpatent:Paragraph0346-0349

68-12-2    22960-16-3 

[1]Patent:WO2005/92885,2005,A1,.Locationinpatent:Page/Pagecolumn60;61

1532-97-4    32117-82-1    22960-16-3 

[1]TetrahedronLetters,1999,vol.40,#45,p.7889-7892

1532-97-4    50978-45-5    22960-16-3 

[1]AngewandteChemie-InternationalEdition,2013,vol.52,#33,p.8611-8615

[2]Angew.Chem.,2013,vol.125,#33,p.8773-8777,5

1532-97-4    109-72-8    22960-16-3 

[1]Patent:US4584379,1986,A,

Downstream Synthesis Route
495-69-2    22960-16-3   
4-isoquinolin-4-ylmethylene-2-phenyl-4<i>H</i>-oxazol-5-one 

[1]CanadianJournalofChemistry,1963,vol.41,p.2265-2271

[2]EuropeanJournalofMedicinalChemistry,2015,vol.99,p.82-91

109-08-0    22960-16-3    73048-58-5 

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

22960-16-3    52126-35-9    24850-33-7   
1-Allyl-2-((E)-penta-2,4-dienoyl)-1,2-dihydro-isoquinoline-4-carbaldehyde 

[1]JournaloftheAmericanChemicalSociety,1988,vol.110,p.2186

22960-16-3    73048-63-2    73048-58-5 

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

22960-16-3    73048-59-6    73048-53-0    73048-54-1 

[1]JournalofOrganicChemistry,1980,vol.45,p.1557-1565

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