3,4-(Methylenedioxy)toluene - CAS 7145-99-5

Name: 3,4-(Methylenedioxy)toluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034382
Product Name:	3,4-(Methylenedioxy)toluene
CAS:	7145-99-5
Synonyms:	5-methyl-1,3-benzodioxole

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Computed Properties

IUPAC Name:	5-methyl-1,3-benzodioxole
Description:	3,4-(Methylenedioxy)toluene (CAS# 7145-99-5) is a useful research chemical.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
Canonical SMILES:	CC1=CC2=C(C=C1)OCO2
InChI:	InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
InChI Key:	GHPODDMCSOYWNE-UHFFFAOYSA-N
Boiling Point:	200.4 °C at 760 mmHg
Density:	1.135 g/mL at 25 °C (lit.)
Appearance:	Colorless to yellow liquid
MDL:	MFCD00005833
LogP:	1.72370

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[202288-73-1]C12H14Cl2N2O
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021114314-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2021114315-A1	Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2021115489-A1	Novel heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214
WO-2021115413-A1	Neuromuscular-blocking drug and preparation method therefor	20191211
WO-2021105908-A1	Heteroaryl compounds and therapeutic uses thereof in conditions associated with the alteration of the activity of beta-glucocerebrosidase	20191125

PMID	Publication Date	Title	Journal
22204607	20120209	Drug-to-genome-to-drug, step 2: reversing selectivity in a series of antiplasmodial compounds	Journal of medicinal chemistry
22259570	20120101	1,2-Bis[(1,3-benzodioxol-5-yl)methyl-idene]hydrazine	Acta crystallographica. Section E, Structure reports online
22347432	20120101	Over-expression of a cytochrome P450 is associated with resistance to pyriproxyfen in the greenhouse whitefly Trialeurodes vaporariorum	PloS one
21986586	20111115	Identification and SAR of selective inducible nitric oxide synthase (iNOS) dimerization inhibitors	Bioorganic & medicinal chemistry letters
21550812	20110601	Structure-activity relationship of 2-hydroxy-2-aryl-2,3-dihydro-imidazo[1,2-a]pyrimidinium salts and 2N-substituted 4(5)-aryl-2-amino-1H-imidazoles as inhibitors of biofilm formation by Salmonella Typhimurium and Pseudomonas aeruginosa	Bioorganic & medicinal chemistry

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.052429494
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3