850429-50-4,MFCD04973733
Catalog No.:AA004ZFI

850429-50-4 | 4-Cyanomethyltetrahydropyran

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$51.00   $36.00
- +
5g
96%
in stock  
$127.00   $89.00
- +
10g
96%
in stock  
$204.00   $143.00
- +
25g
96%
in stock  
$491.00   $344.00
- +
100g
96%
in stock  
$1,931.00 $1,352.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004ZFI
Chemical Name:
4-Cyanomethyltetrahydropyran
CAS Number:
850429-50-4
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD04973733
SMILES:
N#CCC1CCOCC1
Properties
Properties
 
BP:
244.774 °C at 760 mmHg  
Form:
Liquid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
118  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
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:
0.5  

Upstream Synthesis Route

[1]Patent:CN106083787,2016,A,.Locationinpatent:Paragraph0011;0018;0019;0020;0021;0022;0023

[1]Patent:WO2015/74135,2015,A1,

[1]Patent:CN106083787,2016,A,

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80

[2]Chem.Abstr.,1940,p.4396

[1]Patent:CN104557610,2018,B,

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80    Chem.Abstr.,1940,p.4396

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80    Chem.Abstr.,1940,p.4396

850429-50-4    105-37-3   
3-oxo-2-(tetrahydro-pyran-4-yl)-pentanenitrile 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

850429-50-4   
4-(2,4-dichloro-phenyl)-7-ethyl-2-methyl-8-(tetrahydro-pyran-4-yl)-pyrazolo1,5-<i>a</i>1,3,5triazine 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

Literature
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SDS
Related Products of 850429-50-4
Tags:850429-50-4 Molecular Formula|850429-50-4 MDL|850429-50-4 SMILES|850429-50-4 4-Cyanomethyltetrahydropyran
Catalog No.: AA004ZFI
850429-50-4,MFCD04973733
850429-50-4 | 4-Cyanomethyltetrahydropyran
Pack Size: 1g
Purity: 96%
in stock
$51.00 $36.00
Pack Size: 5g
Purity: 96%
in stock
$127.00 $89.00
Pack Size: 10g
Purity: 96%
in stock
$204.00 $143.00
Pack Size: 25g
Purity: 96%
in stock
$491.00 $344.00
Pack Size: 100g
Purity: 96%
in stock
$1,931.00 $1,352.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004ZFI
Chemical Name: 4-Cyanomethyltetrahydropyran
CAS Number: 850429-50-4
Molecular Formula: C7H11NO
Molecular Weight: 125.1683
MDL Number: MFCD04973733
SMILES: N#CCC1CCOCC1
Properties
BP: 244.774 °C at 760 mmHg  
Form: Liquid  
Storage: Room Temperature;  
Complexity: 118  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
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: 0.5  
Upstream Synthesis Route
850429-50-4    65412-03-5 

[1]Patent:CN106083787,2016,A,.Locationinpatent:Paragraph0011;0018;0019;0020;0021;0022;0023

29943-42-8    850429-50-4 

[1]Patent:WO2015/74135,2015,A1,

1768-64-5    850429-50-4 

[1]Patent:CN106083787,2016,A,

14774-37-9    850429-50-4 

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80

[2]Chem.Abstr.,1940,p.4396

85064-61-5    850429-50-4 

[1]Patent:CN104557610,2018,B,

Downstream Synthesis Route
125552-89-8    151-50-8    850429-50-4 

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80    Chem.Abstr.,1940,p.4396

850429-50-4    85064-61-5 

[1]JustusLiebigsAnnalenderChemie,1937,vol.532,p.80    Chem.Abstr.,1940,p.4396

850429-50-4    105-37-3   
3-oxo-2-(tetrahydro-pyran-4-yl)-pentanenitrile 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

850429-50-4    851113-21-8 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

850429-50-4   
4-(2,4-dichloro-phenyl)-7-ethyl-2-methyl-8-(tetrahydro-pyran-4-yl)-pyrazolo1,5-<i>a</i>1,3,5triazine 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.4093-4102

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