Home Other Building Blocks 1,4-Benzodioxan

1,4-Benzodioxan

CAS No.:
493-09-4
Catalog Number:
AG003DMD
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$113
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003DMD
Chemical Name:
1,4-Benzodioxan
CAS Number:
493-09-4
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00006821
IUPAC Name:
2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
InChI Key:
BNBQRQQYDMDJAH-UHFFFAOYSA-N
SMILES:
C1COc2c(O1)cccc2
EC Number:
207-775-6
UNII:
ZC5YP57PSW
NSC Number:
406705
Properties
Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Design, modification and 3D QSAR studies of novel 2,3-dihydrobenzo[b][1,4]dioxin-containing 4,5-dihydro-1H-pyrazole derivatives as inhibitors of B-Raf kinase. Bioorganic & medicinal chemistry 20121015
Asymmetric synthesis and CD investigation of the 1,4-benzodioxane lignans eusiderins A, B, C, G, L, and M. The Journal of organic chemistry 20120921
Synthesis and antihepatotoxic activity of 5-(2,3-dihydro-1,4-benzodioxane-6-yl)-3-substituted-phenyl-4,5-dihydro-1H-pyrazole derivatives. Bioorganic & medicinal chemistry letters 20111215
Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents. Bioorganic & medicinal chemistry 20111101
Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents. Bioorganic & medicinal chemistry letters 20111015
Synthesis and antitumor activity of 1,2,4-triazoles having 1,4-benzodioxan fragment as a novel class of potent methionine aminopeptidase type II inhibitors. Bioorganic & medicinal chemistry 20111015
Oxadiazole derivatives containing 1,4-benzodioxan as potential immunosuppressive agents against RAW264.7 cells. Bioorganic & medicinal chemistry 20110815
Rotationally resolved electronic spectroscopy of 1,4-benzodioxan: the anomeric effect in the ground and electronically excited state. Chemphyschem : a European journal of chemical physics and physical chemistry 20110711
Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) studies on α(1A)-adrenergic receptor antagonists based on pharmacophore molecular alignment. International journal of molecular sciences 20110101
7-Phenyl-sulfonyl-2,3-dihydro-7H-1,4-benzodioxino[6,7-b]carbazole. Acta crystallographica. Section E, Structure reports online 20101201
Copper-catalyzed tandem process: an efficient approach to 2-substituted-1,4-benzodioxanes. Organic & biomolecular chemistry 20100621
Synthesis and glycogen phosphorylase inhibitory activity of N-(beta-D-glucopyranosyl)amides possessing 1,4-benzodioxane moiety. Bioorganic & medicinal chemistry 20090915
Synthesis, crystal structure and immunosuppressive activity of acylamide derivatives containing 1,4-benzodioxan. ChemMedChem 20090901
5-(2-Pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes: synthesis of all the stereoisomers and alpha4beta2 nicotinic affinity. Bioorganic & medicinal chemistry letters 20090201
Structure-activity relationships in 1,4-benzodioxan-related compounds. 9. From 1,4-benzodioxane to 1,4-dioxane ring as a promising template of novel alpha1D-adrenoreceptor antagonists, 5-HT1A full agonists, and cytotoxic agents. Journal of medicinal chemistry 20081023
Experimental and computational thermochemistry of 1,4-benzodioxan and its 6-R derivatives. The journal of physical chemistry. A 20080828
Cation spectroscopy and binding energy determination for 1,4-benzodioxan-Ar1 and -Ar2 complexes. The journal of physical chemistry. A 20080731
Theoretical calculations and vibrational spectra of 1,4-benzodioxan in its S(1)(pi, pi*) electronic excited state. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071231
Synthesis and glycogen phosphorylase inhibitor activity of 2,3-dihydrobenzo[1,4]dioxin derivatives. Bioorganic & medicinal chemistry 20070615
A comparative study on absorption and selectivity of organic vapors by using ionic liquids based on imidazolium, quaternary ammonium, and guanidinium cations. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Synthesis and alpha4beta2 nicotinic affinity of unichiral 5-(2-pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes. Bioorganic & medicinal chemistry letters 20061101
Laser-induced fluorescence spectra, structure, and the ring-twisting and ring-bending vibrations of 1,4-benzodioxan in its S0 and S1(pi,pi*) states. The journal of physical chemistry. A 20060817
Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane. Bioorganic & medicinal chemistry letters 20040119
Structures of 1,4-benzodioxane derivatives from the seeds of Phytolacca americana and their neuritogenic activity in primary cultured rat cortical neurons. Chemical & pharmaceutical bulletin 20031201
A novel series of 2,6,7-substituted 2,3-dihydro-1,4-benzodioxin and 2,6,7-substituted 1,4-benzodioxin derivatives as lipid peroxidation inhibitors. Structure-activity relationships for high inhibition of human low-density lipoprotein peroxidation. Journal of medicinal chemistry 20011108
Total synthesis and antifungal activity of 9-methoxystrobilurin L as the originally proposed 1,4-benzodioxan structure. Bioorganic & medicinal chemistry letters 20011022
Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties. Journal of medicinal chemistry 20010412
Antitumor agents. Synthesis and biological evaluation of new compounds related to podophyllotoxin, containing the 2,3-dihydro-1,4-benzodioxin system. European journal of medicinal chemistry 20010401
Properties