Diethoxymethyl acetate - CAS 14036-06-7

Catalog:	BB009060
Product Name:	Diethoxymethyl acetate
CAS:	14036-06-7
Synonyms:	diethoxymethyl acetate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	diethoxymethyl acetate
Description:	Diethoxymethyl acetate (CAS# 14036-06-7) is a reactant in the synthesis of janus type nucleosides as potential HCV NS5B polymerase inhibitors.
Molecular Weight:	162.18
Molecular Formula:	C7H14O4
Canonical SMILES:	CCOC(OCC)OC(=O)C
InChI:	InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3
InChI Key:	IRUNKQSGDBYUDC-UHFFFAOYSA-N
Boiling Point:	185.7 °C at 760 mmHg
Purity:	95 %
Density:	0.993 g/cm³
Appearance:	Colorless liquid
Storage:	2-8 °C
MDL:	MFCD00009229
LogP:	0.90610

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2020245706-A1	N-1 branched alkyl substituted imidazo[4,5-c]quinoline compounds, compositions, and methods	20190606
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2020369711-A1	Modified cyclic dinucleoside compounds as sting modulators	20190509
WO-2020227421-A1	Modified cyclic dinucleoside compounds as sting modulators	20190509

PMID	Publication Date	Title	Journal
22018878	20111201	New series of isoniazid hydrazones linked with electron-withdrawing substituents	European journal of medicinal chemistry
18275941	20080407	Synthesis of new mannosyl, galactosyl and glucosyl theophylline nucleosides with potential activity as antagonists of adenosine receptors. DEMA-induced cyclization of glycosylideneiminouracils	Carbohydrate research
1846922	19910101	Synthesis and antiviral activity of 9-alkoxypurines. 2. 9-(2,3-Dihydroxypropoxy)-, 9-(3,4-dihydroxybutoxy)-, and 9-(1,4-dihydroxybut-2-oxy)purines	Journal of medicinal chemistry
2153202	19900101	Synthesis and antiviral activity of 9-alkoxypurines. 1. 9-(3-Hydroxypropoxy)- and 9-[3-hydroxymethyl)propoxy]purines	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.08920892
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.08920892
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8