Home Other Building Blocks 2987-16-8
2987-16-8,MFCD00042807
Catalog No.:AA0033EX

2987-16-8 | 3,3-Dimethylbutanal

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Purity
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1g
95%
in stock  
$19.00   $14.00
- +
5g
95%
in stock  
$43.00   $30.00
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100g
95%
in stock  
$760.00   $532.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033EX
Chemical Name:
3,3-Dimethylbutanal
CAS Number:
2987-16-8
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00042807
SMILES:
O=CCC(C)(C)C
Properties
Properties
 
BP:
104-106°C at 760 mmHg  
Form:
Liquid  
MP:
-72.5°C (estimate)  
Refractive Index:
n20/D 1.397(lit.)  
Stability:
Air & Moisture Sensitive  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
59.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.4  

Upstream Synthesis Route

[1]Patent:US6914151,2005,B1,.Locationinpatent:Page/Pagecolumn5-6

[2]ActaCrystallographicaSectionC:CrystalStructureCommunications,1999,vol.55,#8,p.1365-1368

[3]SyntheticCommunications,1999,vol.29,#24,p.4461-4467

[1]JournalofMedicinalChemistry,2013,vol.56,#14,p.5979-5983

[2]OrganicProcessResearchandDevelopment,2016,vol.20,#12,p.2057-2066

[1]OrganicProcessResearchandDevelopment,2016,vol.20,#12,p.2057-2066

[1]JournalofMedicinalChemistry,2015,vol.58,#10,p.4165-4179

[1]JournalofMedicinalChemistry,2015,vol.58,#10,p.4165-4179

[2]JournalofMedicinalChemistry,2015,vol.58,#10,p.4165-4179

Literature

Title: Photochemistry and photophysics of n-butanal, 3-methylbutanal, and 3,3-dimethylbutanal: experimental and theoretical study.

Journal: The journal of physical chemistry. A 20120621

Title: Kinetics and products of the reactions of oh radicals with 4,4-dimethyl-1-pentene and 3,3-dimethylbutanal at 296 +/- 2 K.

Journal: The journal of physical chemistry. A 20100513

Title: Mechanistic studies of choline oxidase with betaine aldehyde and its isosteric analogue 3,3-dimethylbutyraldehyde.

Journal: Biochemistry 20060214

Title: Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.

Journal: Journal of medicinal chemistry 20020912

Title: 5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands.

Journal: The Journal of organic chemistry 20020531

Title: Assessment of acyl groups and reaction conditions in the competition between perhydrolysis and hydrolysis of acyl resorufins for developing an indicator reaction for fluorometric analysis of hydrogen peroxide.

Journal: Chemical & pharmaceutical bulletin 20020201

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SDS
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