4442-59-5,MFCD00203985
Catalog No.:AA003VDU

4442-59-5 | 2,3-Dihydro-1,4-benzodioxin-2-ylmethylamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$39.00   $27.00
- +
25g
97%
in stock  
$956.00 $669.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003VDU
Chemical Name:
2,3-Dihydro-1,4-benzodioxin-2-ylmethylamine
CAS Number:
4442-59-5
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00203985
SMILES:
NCC1COc2c(O1)cccc2
NSC Number:
116045
Properties
Properties
 
BP:
105-110°C at 3 mmHg  
Form:
Solid  
Refractive Index:
n20/D 1.5594  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,1984,vol.19,p.411-414

4442-59-5    35081-45-9   
1-(4-Benzyloxy-phenyl)-2-(2,3-dihydro-benzo1,4dioxin-2-ylmethyl)-amino-propan-1-one;hydrochloride 

[1]Salimbeni;Manghisi;Ferni;Fregnan[Farmaco,EdizioneScientifica,1983,vol.38,#8,p.571-583]

4442-59-5    36256-45-8   
methyl5-<<<(2,3-dihydro-1,4-benzodioxan-2-yl)methyl>amino>acetyl>-2-hydroxybenzoate 

[1]JournalofMedicinalChemistry,1981,vol.24,p.327-336

[1]Dewar;Kapur;Mottram[EuropeanJournalofMedicinalChemistry,1983,vol.18,#3,p.286-290]

[1]Marciniak;Decolin;Leclerc;Decker;Schwartz[JournalofMedicinalChemistry,1988,vol.31,#12,p.2289-2296]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
Tags:4442-59-5 Molecular Formula|4442-59-5 MDL|4442-59-5 SMILES|4442-59-5 2,3-Dihydro-1,4-benzodioxin-2-ylmethylamine
Catalog No.: AA003VDU
4442-59-5,MFCD00203985
4442-59-5 | 2,3-Dihydro-1,4-benzodioxin-2-ylmethylamine
Pack Size: 1g
Purity: 97%
in stock
$39.00 $27.00
Pack Size: 25g
Purity: 97%
in stock
$956.00 $669.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003VDU
Chemical Name: 2,3-Dihydro-1,4-benzodioxin-2-ylmethylamine
CAS Number: 4442-59-5
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891
MDL Number: MFCD00203985
SMILES: NCC1COc2c(O1)cccc2
NSC Number: 116045
Properties
BP: 105-110°C at 3 mmHg  
Form: Solid  
Refractive Index: n20/D 1.5594  
Storage: Inert atmosphere;2-8℃;  
Complexity: 152  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
4442-59-5    3663-80-7    95110-13-7 

[1]EuropeanJournalofMedicinalChemistry,1984,vol.19,p.411-414

4442-59-5    35081-45-9   
1-(4-Benzyloxy-phenyl)-2-(2,3-dihydro-benzo1,4dioxin-2-ylmethyl)-amino-propan-1-one;hydrochloride 

[1]Salimbeni;Manghisi;Ferni;Fregnan[Farmaco,EdizioneScientifica,1983,vol.38,#8,p.571-583]

4442-59-5    36256-45-8   
methyl5-<<<(2,3-dihydro-1,4-benzodioxan-2-yl)methyl>amino>acetyl>-2-hydroxybenzoate 

[1]JournalofMedicinalChemistry,1981,vol.24,p.327-336

4442-59-5    6683-69-8    87780-32-3 

[1]Dewar;Kapur;Mottram[EuropeanJournalofMedicinalChemistry,1983,vol.18,#3,p.286-290]

4442-59-5    23459-41-8    116210-76-5 

[1]Marciniak;Decolin;Leclerc;Decker;Schwartz[JournalofMedicinalChemistry,1988,vol.31,#12,p.2289-2296]

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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