ChemicalBook Product Catalog Chemical Reagents Organic reagents Esters Methyl ester compound 1,1,1-Trimethoxypentane

1,1,1-Trimethoxypentane

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;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Orthoesters;Miscellaneous
Mol File:13820-09-2.mol
1,1,1-Trimethoxypentane Structure
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
Fp 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 Reference13820-09-2(CAS DataBase Reference)
NIST Chemistry ReferencePentane, 1,1,1-trimethoxy-(13820-09-2)
EPA Substance Registry SystemPentane, 1,1,1-trimethoxy- (13820-09-2)
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 Information
ProviderLanguage
1,1,1-Trimethoxypentane English
ACROS English
ALFA English
1,1,1-Trimethoxypentane Usage And Synthesis
Chemical PropertiesCLEAR COLORLESS LIQUID
UsesTrimethyl 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
UsesTrimethyl 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.
Synthesis Reference(s)Journal of the American Chemical Society, 68, p. 1922, 1946 DOI: 10.1021/ja01214a015
General DescriptionKinetics of unimolecular gas-phase elimination of trimethyl orthovalerate has been investigated.
1,1,1-Trimethoxypentane Preparation Products And Raw materials
Raw materialsMETHYL VALERATE-->methyl valerimidate hydrochloride-->Methanol-->Valeronitrile
Preparation Products2-BUTYL-6-NITRO-1,3-BENZOXAZOLE-->2,4-dihydroxy-6-n-butylbenzoic acid, methyl ester
Triethyl orthobutyrate 1,1',1''-[propylidynetris(oxy)]tributane TITANIUM ISOBUTOXIDE ORTHO-N-VALERIC ACID TRIETHYL ESTER Tetraethyl orthocarbonate Trimethoxymethane Tetramethoxymethane 1,1,1-Trimethoxy-2-methylpropane Protoporphyrin IX dimethyl ester 1,1,1-tributoxypentane Avilamycin TRIMETHOXYMETHYL-CYCLOHEXANE 1,1,1-Trimethoxypentane avilamycin A flambamycin Avilamycin B 5-(TRIMETHOXYMETHYL)-BICYCLO[2.2.1]HEPT-2-ENE 1,2,3-Trimethoxypentane
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