Home Other Building Blocks 7216-18-4
7216-18-4,MFCD01333457
Catalog No.:AA003IEK
7216-18-4 | 3,4-dihydro-2H-1,5-benzodioxepine
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1g
>97%
in stock  
$70.00   $49.00
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5g
>97%
in stock  
$223.00   $156.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEK
Chemical Name:
3,4-dihydro-2H-1,5-benzodioxepine
CAS Number:
7216-18-4
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD01333457
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine
InChI:
InChI=1S/C9H10O2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5H,3,6-7H2
InChI Key:
CBXMULHQEVXJDI-UHFFFAOYSA-N
SMILES:
C1COc2c(OC1)cccc2
Properties
Computed Properties
 
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3,4-Dihydro-2H-1,5-benzodioxepine 
7216-18-4 
MFCD01333457 
2H,3H,4H-benzo[b]1,4-dioxepin 
AC1Q1HME 
AC1Q1IBG 
1,5-BENZODIOXEPANE 
SCHEMBL9351 
5-19-01-00450 (Beilstein Handbook Reference) 
AC1L31R4 
SCHEMBL4506587 
DTXSID20222500 
3,4-Dihydro-2H-benzo[b][1,4]dioxepine 
HMS1718J12 
ZINC5175379 
1200AC 
ANW-54528 
SBB016570 
AKOS000121570 
ACN-054413 
MCULE-2178861428 
NE11848 
TRA0100659 
2H-1,5-Benzodioxepin, 3,4-dihydro- 
3,4-Dihydro-2H-1,5-benzodioxepine # 
AJ-53464 
AN-13336 
AS-31223 
CJ-12493 
EN001323 
LS-34515 
SC-26913 
SY003809 
AB0052632 
1,2-TRIMETHYLENEDIOXYBENZENE 
TC-069542 
FT-0083254 
FT-0651337 
ST50329624 
EN300-17581 
MFCD01333457 (97+%) 
I14-12997 
F3284-8044 
C9H10O2 
CID81635 
Pyrocatechol trimethylene ether 
AR-1E9161 
C9-H10-O2 
7494-27-1 
BRN 0128377 
3,4-dihydro-2h-1,5-benzodioxepin 
3,4-Dihydro-2H-1,4-benzodioxepin 
CBXMULHQEVXJDI-UHFFFAOYSA-N 
Literature

Title: [Synthesis of structural fragments of natural flavonoids and flavolignans from 2'-hydroxychalcones].

Journal: Bioorganicheskaia khimiia 20120101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: [Synthesis of analogues of natural coumarins and coumarinolignans].

Journal: Bioorganicheskaia khimiia 20050101

Title: [The synthesis of chalcone and flavanone semicarbazones from 1,3- and 1,4-dibenzodioxane and 1,5-benzodioxepane analogues of chalcones].

Journal: Bioorganicheskaia khimiia 20020101

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