Name: Name:3,3-Dimethylbutanal
Brand: AABLOCKS
SKU: AA0033EX
Rating: 90 (10 reviews)

Catalog No.: AA0033EX

2987-16-8 | 3,3-Dimethylbutanal

Pack Size： 1g

Purity： 95%

in stock

$20.00 $14.00

Pack Size： 5g

Purity： 95%

in stock

$43.00 $31.00

Pack Size： 100g

Purity： 95%

in stock

$726.00 $508.00

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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

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 ℃;

Complexity: 59.1

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 7

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.4

Upstream Synthesis Route

2987-16-8

22839-47-0

165450-17-9

[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

2987-16-8

1229705-06-9

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

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

2987-16-8

1229705-06-9

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

2987-16-8

1454682-74-6

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

2987-16-8

1454682-72-4

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

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

Literature fold

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

Journal: The journal of physical chemistry. A20120621

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. A20100513

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

Journal: Biochemistry20060214

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

Journal: Journal of medicinal chemistry20020912

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

Journal: The Journal of organic chemistry20020531

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 bulletin20020201

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