1,1,1-Trimethoxypentane
Synonym(s):1,1,1-Trimethoxypentane
- CAS NO.：13820-09-2
- Empirical Formula: C8H18O3
- Molecular Weight: 162.23
- MDL number: MFCD00008481
- EINECS: 237-496-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-01 18:09:03
What is 1,1,1-Trimethoxypentane?
Chemical properties
CLEAR COLORLESS LIQUID
The Uses of 1,1,1-Trimethoxypentane
Trimethyl orthovalerate is used in the synthesis of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A3 receptor ligands. It can also be used as a precursor to prepare N-sulfonyl and N-sulfinyl imines and imidates.
The Uses of 1,1,1-Trimethoxypentane
Trimethyl orthovalerate has been used in the preparation of:
- various 9-O-acyl derivatives of N-acetyl- and N-glycoloyl-neuraminic acid
- 2-methyl, 2-ethyl, 2-propyl and 2-butyl-3-benzimidazolyl-4(3H)-quinazolinones
Synthesis Reference(s)
Journal of the American Chemical Society, 68, p. 1922, 1946 DOI: 10.1021/ja01214a015
General Description
Kinetics of unimolecular gas-phase elimination of trimethyl orthovalerate has been investigated.
Properties of 1,1,1-Trimethoxypentane
| Boiling point: | 164-166 °C (lit.) |
| Density | 0.941 g/mL at 25 °C (lit.) |
| refractive index | 1.408-1.41 |
| Flash point: | 41 °C |
| storage temp. | Flammables area |
| solubility | Chloroform (Slightly), DMSO, Methanol (Slightly) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Sensitive | Moisture Sensitive |
| Merck | 14,9717 |
| BRN | 1739200 |
| Stability: | Unstable in acidic solution, Unstable In Acidic Solution |
| CAS DataBase Reference | 13820-09-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Pentane, 1,1,1-trimethoxy-(13820-09-2) |
| EPA Substance Registry System | Pentane, 1,1,1-trimethoxy- (13820-09-2) |
Safety information for 1,1,1-Trimethoxypentane
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1,1,1-Trimethoxypentane
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product: Trimethyl orthovalerate, 97% 99%
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