3,3-dimethylbutanal Chemical Properties

Melting point:

-72.5°C (estimate)

Boiling point:

104-106 °C (lit.)

Density 

0.798 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.397(lit.)

Flash point:

51 °F

storage temp. 

Inert atmosphere,Store in freezer, under -20°C

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly)

form 

Liquid

color 

Clear colorless

Sensitive 

Air & Moisture Sensitive

BRN 

1735829

Stability:

Air Sensitive (Oxidize)

InChIKey

LTNUSYNQZJZUSY-UHFFFAOYSA-N

CAS DataBase Reference

2987-16-8(CAS DataBase Reference)

NIST Chemistry Reference

3,3-Dimethylbutyraldehyde(2987-16-8)

Safety Information

Hazard Codes 

F,Xi

Risk Statements 

11-36/37/38

Safety Statements 

16-23

RIDADR 

UN 1989 3/PG 2

WGK Germany 

3

F 

10-23

HazardClass 

3.1

PackingGroup 

II

HS Code 

29121900

MSDS

• Language:English Provider:SigmaAldrich

3,3-dimethylbutanal Usage And Synthesis

Chemical Properties

Colorless to light yellow liquid

Uses

3,3-Dimethylbutyraldehyde is an intermediate used to prepare spiro-oxindoles as potent, specific small-molecule Inhibitors of the MDM2-p53 Interaction.

Preparation

3,3-dimethylbutanal is prepared from 3,3-dimethylbutanol obtained by reduction of the corresponding carboxylic acid or 1,2-epoxy-3,3-dimethylbutane, or by hydrolysis of 1-halo-3,3-dimethylbutane.

References

[1] SETRAK K. TANIELYAN Robert L A. Synthesis of 3,3-Dimethylbutanol and 3,3-Dimethylbutanal, Important Intermediates in the Synthesis of Neotame[J]. Topics in Catalysis, 2012, 55 7-10: 625-630. DOI:10.1007/s11244-012-9841-z.
[2] JOVAN M. TADI?*. Photochemistry and Photophysics of n-Butanal, 3-Methylbutanal, and 3,3-Dimethylbutanal: Experimental and Theoretical Study[J]. The Journal of Physical Chemistry A, 2011, 116 24: 5830-5839. DOI:10.1021/jp208665v.
[3] SARA M. ASCHMANN Roger A Janet Arey. Kinetics and Products of the Reactions of OH Radicals with 4,4-Dimethyl-1-pentene and 3,3-Dimethylbutanal at 296 ± 2 K[J]. The Journal of Physical Chemistry A, 2010, 114 18: 5810-5816. DOI:10.1021/jp101893g.

3,3-dimethylbutanal(2987-16-8)Related Product Information

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