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1,1,1-Trimethoxypentane

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1,1,1-Trimethoxypentane Basic information

Product Name:
1,1,1-Trimethoxypentane
Synonyms:
  • 1,1,1-TRIMETHOXY-N-PENTANE
  • 1,1,1-TRIMETHOXYPENTANE
  • PENTANE, 1,1,1-TRIMETHOXY-
  • ORTHO-N-VALERIC ACID TRIMETHYL ESTER
  • TRIMETHYL ORTHO-N-VALERATE
  • TRIMETHYL ORTHOVALERATE
  • TRIMETHYL-2-VALERATE
  • trimethyl-valerate
CAS:
13820-09-2
MF:
C8H18O3
MW:
162.23
EINECS:
237-496-5
Product Categories:
  • Acetals/Ketals/Ortho Esters
  • Building Blocks
  • Orthoesters
  • Chemical Synthesis
  • Organic Building Blocks
  • Oxygen Compounds
  • Miscellaneous
Mol File:
13820-09-2.mol
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1,1,1-Trimethoxypentane Chemical Properties

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)
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Safety Information

Hazard Codes 
Xi,F
Risk Statements 
36/37/38-10-36/38
Safety Statements 
37/39-26-16-36
RIDADR 
1993
WGK Germany 
3
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29159000

MSDS

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1,1,1-Trimethoxypentane Usage And Synthesis

Chemical Properties

CLEAR COLORLESS LIQUID

Uses

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.

Uses

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.

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