75607
Trimethyl orthovalerate
purum, ≥97.0% (GC)
Synonym(s):
1,1,1-Trimethoxypentane
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About This Item
Linear Formula:
CH3CH2CH2CH2C(OCH3)3
CAS Number:
Molecular Weight:
162.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
237-496-5
Beilstein/REAXYS Number:
1739200
MDL number:
InChI key
XUXVVQKJULMMKX-UHFFFAOYSA-N
InChI
1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3
SMILES string
CCCCC(OC)(OC)OC
grade
purum
assay
≥97.0% (GC)
form
liquid
bp
164-166 °C (lit.)
density
0.941 g/mL at 25 °C (lit.)
Application
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
107.6 °F - closed cup
flash_point_c
42 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Facile synthesis of fused 1, 2, 4-triazolo [1, 5-c] pyrimidine derivatives as human adenosine A 3 receptor ligands.
Okamura T, et al.
Bioorganic & Medicinal Chemistry Letters, 14(10), 2443-2446 (2004)
Metal Free, Microwave Assisted Preparation of N-Sulfonyl and N-Sulfinyl Imines and Imidates.
Verrier C, et al.
ACS sustainable chemistry & engineering, 14(10), 2443-2446 (2018)
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