1-Methoxy-1,3-butadiene - CAS 3036-66-6
Catalog: |
BB020576 |
Product Name: |
1-Methoxy-1,3-butadiene |
CAS: |
3036-66-6 |
Synonyms: |
(1E)-1-methoxybuta-1,3-diene |
IUPAC Name: | (1E)-1-methoxybuta-1,3-diene |
Description: | 1-Methoxy-1,3-butadiene (CAS# 3036-66-6 ) is a useful research chemical. |
Molecular Weight: | 84.12 |
Molecular Formula: | C5H8O |
Canonical SMILES: | COC=CC=C |
InChI: | InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+ |
InChI Key: | KOCUMXQOUWPSLK-SNAWJCMRSA-N |
Boiling Point: | 91.5 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 0.83 g/cm3 |
Appearance: | White to very dark yellow liquid |
Storage: | 2-8 °C |
LogP: | 1.33250 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021007141-A1 | Process for the synthesis of non-racemic cyclohexenes | 20190709 |
EP-3008078-A1 | Catalysts for efficient z-selective metathesis | 20130612 |
EP-3008078-B1 | Catalysts for efficient z-selective metathesis | 20130612 |
US-2014371454-A1 | Catalysts for efficient z-selective metathesis | 20130612 |
US-9938253-B2 | Catalysts for efficient Z-selective metathesis | 20130612 |
PMID | Publication Date | Title | Journal |
20166669 | 20100317 | Synthetic and mechanistic studies on Pd(0)-catalyzed diamination of conjugated dienes | Journal of the American Chemical Society |
18941487 | 20080101 | Diels-Alder reactions using 4,7-dioxygenated indanones as dienophiles for regioselective construction of oxygenated 2,3-dihydrobenz[f]indenone skeleton | Beilstein journal of organic chemistry |
16462065 | 20060201 | Novel Diels-Alder reaction of 4-nitro-1(2H)-isoquinolones | Chemical & pharmaceutical bulletin |
Complexity: | 55 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 84.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.057514874 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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