1611-07-0,MFCD00156139
Catalog No.:AA001S35

1611-07-0 | 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$122.00 $85.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001S35
Chemical Name:
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
CAS Number:
1611-07-0
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
MDL Number:
MFCD00156139
SMILES:
N#CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Properties
 
BP:
323 °C at 760 mmHg  
Form:
Solid  
MP:
104 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
301  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.6  

Downstream Synthesis Route
64-17-5    1611-07-0    1620-64-0   
6,8-di-tert-butyl-1-aza(4,3)-bicyclonona-4,7-dien-2,6-dione 

[1]Volod'kin,A.A.;Malysheva,R.D.;Ershov,V.V.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1982,vol.31,#7,p.1417-1420][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1982,#7,p.1594-1597]

[1]Kang,Tae-Souk;Jo,Hyang-Ok;Park,Woo-Kyu;Kim,Jong-Pyung;Konishi,Yasuo;Kong,Jae-Yang;Park,No-Sang;Jung,Young-Sik[BioorganicandMedicinalChemistryLetters,2008,vol.18,#5,p.1663-1667]

[2]Dreher,Eberhard-Ludwig;Bracht,Juergen;El-Mobayed,Medhat;Huetter,Peter;Winter,Werner;Rieker,Anton[ChemischeBerichte,1982,vol.115,#1,p.288-308]

1611-07-0    1620-64-0   
6,8-di-tert-butyl-1-aza(4,3)-bicyclonona-4,7-dien-2,6-dione 

[1]Volod'kin,A.A.;Malysheva,R.D.;Ershov,V.V.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1982,vol.31,#7,p.1417-1420][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1982,#7,p.1594-1597]

[1]CurrentPatentAssignee:NEWMARKETCORP-US4487722,1984,A

Literature
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Tags:1611-07-0 Molecular Formula|1611-07-0 MDL|1611-07-0 SMILES|1611-07-0 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
Catalog No.: AA001S35
1611-07-0,MFCD00156139
1611-07-0 | 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
Pack Size: 1g
Purity: 95%
in stock
$122.00 $85.00
Quantity
- +
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Technical Information
Catalog Number: AA001S35
Chemical Name: 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
CAS Number: 1611-07-0
Molecular Formula: C16H23NO
Molecular Weight: 245.3599
MDL Number: MFCD00156139
SMILES: N#CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
BP: 323 °C at 760 mmHg  
Form: Solid  
MP: 104 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 301  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 4.6  
Downstream Synthesis Route
64-17-5    1611-07-0    1620-64-0   
6,8-di-tert-butyl-1-aza(4,3)-bicyclonona-4,7-dien-2,6-dione 

[1]Volod'kin,A.A.;Malysheva,R.D.;Ershov,V.V.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1982,vol.31,#7,p.1417-1420][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1982,#7,p.1594-1597]

2091-51-2    151-50-8    1611-07-0 

[1]Kang,Tae-Souk;Jo,Hyang-Ok;Park,Woo-Kyu;Kim,Jong-Pyung;Konishi,Yasuo;Kong,Jae-Yang;Park,No-Sang;Jung,Young-Sik[BioorganicandMedicinalChemistryLetters,2008,vol.18,#5,p.1663-1667]

[2]Dreher,Eberhard-Ludwig;Bracht,Juergen;El-Mobayed,Medhat;Huetter,Peter;Winter,Werner;Rieker,Anton[ChemischeBerichte,1982,vol.115,#1,p.288-308]

1611-07-0    1620-64-0   
6,8-di-tert-butyl-1-aza(4,3)-bicyclonona-4,7-dien-2,6-dione 

[1]Volod'kin,A.A.;Malysheva,R.D.;Ershov,V.V.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1982,vol.31,#7,p.1417-1420][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1982,#7,p.1594-1597]

7647-01-0    88-27-7    1611-07-0 

[1]CurrentPatentAssignee:NEWMARKETCORP-US4487722,1984,A

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