Methoxyallene - CAS 13169-00-1

Catalog:	BB007471
Product Name:	Methoxyallene
CAS:	13169-00-1
Synonyms:	1-methoxypropa-1,2-diene

Technical Data

Safety and Hazards

Patents

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Computed Properties

Description:	Methoxyallene (CAS# 13169-00-1 ) is a useful research chemical.
Molecular Weight:	70.09
Molecular Formula:	C4H6O
Canonical SMILES:	COC=C=C
InChI:	InChI=1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3
InChI Key:	RRWJXAJEGRDMQH-UHFFFAOYSA-N
Boiling Point:	48.2 °C at 760 mmHg
Density:	0.832 g/mL at 25 °C
Appearance:	Colorless to yellow liquid
Storage:	2-8 °C
LogP:	0.93140

Publication Number	Title	Priority Date
CN-111533644-A	Synthetic method of key intermediate 4-propargyl-2, 3,5, 6-tetrafluorobenzyl alcohol of fluorobenzyl insecticides	20200325
WO-2019158019-A1	Pyrimidine-fused cyclic compound, preparation method therefor and application thereof	20180213
AU-2019222026-A1	Pyrimidine-fused cyclic compound, preparation method therefor and application thereof	20180213
EP-3753941-A1	Pyrimidine-fused cyclic compound, preparation method therefor and application thereof	20180213
KR-20200120713-A	Pyrimidine-fused ring compound and its preparation method and use	20180213

PMID	Publication Date	Title	Journal
21990042	20111118	General Au-catalyzed benzannulation towards naturally occurring carbazole alkaloids from methoxypropadiene	Chemistry (Weinheim an der Bergstrasse, Germany)
21898622	20111010	In search of oligo(2-thienyl)-substituted pyridine derivatives: a modular approach to di-, tri- and tetra(2-thienyl)pyridines	Chemistry (Weinheim an der Bergstrasse, Germany)
17020297	20061012	Efficient approach to the Azaspirane core of FR 901483	Organic letters
17020325	20061012	Synthesis of bisbenzannulated spiroketals-model studies for a modular approach to rubromycins	Organic letters
15372682	20041025	Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	50.7
Compound Is Canonicalized:	No
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	70.041864811
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	70.041864811
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4