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27609-91-2,MFCD18394297
Catalog No.:AA002U4N

27609-91-2 | 4-Formyl-3-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$17.00   $12.00
- +
250mg
97%
in stock  
$22.00   $15.00
- +
1g
97%
in stock  
$37.00   $26.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002U4N
Chemical Name:
4-Formyl-3-methylbenzonitrile
CAS Number:
27609-91-2
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD18394297
SMILES:
N#Cc1ccc(c(c1)C)C=O
Properties
Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
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:
1.5  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,#24,p.3161-3164

[2]BioorganicandMedicinalChemistryLetters,1997,vol.7,#21,p.2777-2780

[3]Patent:WO2013/111105,2013,A1,.Locationinpatent:Page/Pagecolumn286

[4]Patent:EP2632465,2015,B1,.Locationinpatent:Paragraph0310

[1]Patent:US5863947,1999,A,

[1]Patent:US2016/9706,2016,A1,.Locationinpatent:Paragraph0244;0245

Downstream Synthesis Route
151-50-8    27609-91-2   
(S)-(+)-α-amino-4-carboxy-2-methylbenzeneaceticacid 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

151-50-8    27609-91-2   
(S)-(+)-α-amino-4-carboxy-2-methylbenzeneaceticacid 
 
4-((R)-Amino-carboxy-methyl)-3-methyl-benzoicacid 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

[2]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

[3]Patent:WO2013/111105,2013,A1.Locationinpatent:Page/Pagecolumn286

[4]Patent:EP2632465,2015,B1.Locationinpatent:Paragraph0310

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

Literature
Quotation Request
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SDS
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Tags:27609-91-2 Molecular Formula|27609-91-2 MDL|27609-91-2 SMILES|27609-91-2 4-Formyl-3-methylbenzonitrile
Catalog No.: AA002U4N
27609-91-2,MFCD18394297
27609-91-2 | 4-Formyl-3-methylbenzonitrile
Pack Size： 100mg
Purity： 97%
in stock
$17.00 $12.00
Pack Size： 250mg
Purity： 97%
in stock
$22.00 $15.00
Pack Size： 1g
Purity： 97%
in stock
$37.00 $26.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002U4N
Chemical Name: 4-Formyl-3-methylbenzonitrile
CAS Number: 27609-91-2
Molecular Formula: C9H7NO
Molecular Weight: 145.1580
MDL Number: MFCD18394297
SMILES: N#Cc1ccc(c(c1)C)C=O
Properties
Complexity: 191  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
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: 1.5  
Upstream Synthesis Route
41963-20-6    68-12-2    27609-91-2 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,#24,p.3161-3164

[2]BioorganicandMedicinalChemistryLetters,1997,vol.7,#21,p.2777-2780

[3]Patent:WO2013/111105,2013,A1,.Locationinpatent:Page/Pagecolumn286

[4]Patent:EP2632465,2015,B1,.Locationinpatent:Paragraph0310

41963-20-6    27609-91-2 

[1]Patent:US5863947,1999,A,

24078-12-4    27609-91-2 

[1]Patent:US2016/9706,2016,A1,.Locationinpatent:Paragraph0244;0245

Downstream Synthesis Route
151-50-8    27609-91-2   
(S)-(+)-α-amino-4-carboxy-2-methylbenzeneaceticacid 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

151-50-8    27609-91-2   
(S)-(+)-α-amino-4-carboxy-2-methylbenzeneaceticacid 
 
4-((R)-Amino-carboxy-methyl)-3-methyl-benzoicacid 

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

41963-20-6    68-12-2    27609-91-2 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

[2]BioorganicandMedicinalChemistryLetters,1997,vol.7,p.2777-2780

[3]Patent:WO2013/111105,2013,A1.Locationinpatent:Page/Pagecolumn286

[4]Patent:EP2632465,2015,B1.Locationinpatent:Paragraph0310

27609-91-2    227094-07-7 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

27609-91-2    227094-09-9 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

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