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5735-53-5,MFCD02181098
Catalog No.:AA003IEJ

5735-53-5 | 3,4-Dihydro-2h-1,4-benzoxazine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$22.00   $15.00
- +
10g
97%
in stock  
$35.00   $25.00
- +
100g
97%
in stock  
$329.00   $231.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IEJ
Chemical Name:
3,4-Dihydro-2h-1,4-benzoxazine
CAS Number:
5735-53-5
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD02181098
SMILES:
C1CNc2c(O1)cccc2
Properties
Properties
 
BP:
250.6°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
116  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.7  

Upstream Synthesis Route

[1]TetrahedronLetters,2006,vol.47,#44,p.7823-7826

[2]Patent:WO2011/47432,2011,A1,.Locationinpatent:Page/Pagecolumn88

[3]HeterocyclicCommunications,2012,vol.18,#3,p.143-146

[4]Patent:WO2010/51374,2010,A1,.Locationinpatent:Page/Pagecolumn132

[5]Patent:EP2172453,2010,A1,.Locationinpatent:Page/Pagecolumn13

[6]Patent:WO2011/103460,2011,A1,.Locationinpatent:Page/Pagecolumn240

[1]Patent:CN107235845,2017,A,.Locationinpatent:Paragraph0102;0103;0104;0105

[1]JournaloftheAmericanChemicalSociety,2001,vol.123,#49,p.12202-12206

[2]JournaloftheAmericanChemicalSociety,2000,vol.122,#51,p.12907-12908

[1]Patent:US2014/323720,2014,A1,.Locationinpatent:Paragraph0063;0064;0083;0084

[1]ArchivderPharmazie,2018,vol.351,#5,

[2]Patent:US2008/318941,2008,A1,.Locationinpatent:Page/Pagecolumn24

[3]Patent:WO2009/23844,2009,A2,.Locationinpatent:Page/Pagecolumn121

[4]Patent:US2008/200471,2008,A1,.Locationinpatent:Page/Pagecolumn47

[5]Patent:WO2010/21797,2010,A1,.Locationinpatent:Page/Pagecolumn86

[6]Patent:US2010/29629,2010,A1,.Locationinpatent:Page/Pagecolumn58

[7]Patent:WO2010/24980,2010,A1,.Locationinpatent:Page/Pagecolumn104

[8]Patent:US2010/22581,2010,A1,.Locationinpatent:Page/Pagecolumn37;41

[9]Patent:WO2007/98418,2007,A1,.Locationinpatent:Page/Pagecolumn130-131;141

[10]Synthesis(Germany),2014,vol.46,

[11]Patent:WO2012/9678,2012,A1,.Locationinpatent:Page/Pagecolumn222-223

[12]AustralianJournalofChemistry,1956,vol.9,p.397,402

[13]Patent:US4721784,1988,A,

[14]Patent:US6248739,2001,B1,

[15]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.7956-7967

[16]Patent:US2008/305169,2008,A1,

[17]BioorganicandMedicinalChemistryLetters,2008,vol.18,#16,p.4700-4704

[18]Patent:US2010/16297,2010,A1,.Locationinpatent:Page/Pagecolumn26

[19]Patent:US2007/10670,2007,A1,.Locationinpatent:Page/Pagecolumn79-80

[20]Patent:US2007/197512,2007,A1,.Locationinpatent:Page/Pagecolumn49

[21]Patent:WO2011/26085,2011,A2,.Locationinpatent:Page/Pagecolumn58

[22]Patent:WO2011/48148,2011,A2,.Locationinpatent:Page/Pagecolumn60

[23]Patent:WO2011/48112,2011,A1,.Locationinpatent:Page/Pagecolumn79-80;90

[24]Patent:US2011/171159,2011,A1,.Locationinpatent:Page/Pagecolumn33

[25]Patent:US2012/196813,2012,A1,.Locationinpatent:Page/Pagecolumn25

[26]Patent:WO2013/128465,2013,A1,.Locationinpatent:Page/Pagecolumn98

[27]JournalofMedicinalChemistry,2014,vol.57,#6,p.2670-2682

[28]Patent:US2015/158860,2015,A1,.Locationinpatent:Paragraph0345

[29]Patent:US2008/64871,2008,A1,.Locationinpatent:Page/Pagecolumn43

[30]Patent:US2008/64871,2008,A1,.Locationinpatent:Page/Pagecolumn87;88;89;89-90

Downstream Synthesis Route

[1]OrganicLetters,2019,vol.21,p.9954-9959

[2]ArchivderPharmazie,2018,vol.351

[3]Patent:US2008/318941,2008,A1.Locationinpatent:Page/Pagecolumn24

[4]Patent:WO2009/23844,2009,A2.Locationinpatent:Page/Pagecolumn121

[5]Patent:US2008/200471,2008,A1.Locationinpatent:Page/Pagecolumn47

[6]Patent:WO2010/21797,2010,A1.Locationinpatent:Page/Pagecolumn86

[7]Patent:US2010/29629,2010,A1.Locationinpatent:Page/Pagecolumn58

[8]Patent:WO2010/24980,2010,A1.Locationinpatent:Page/Pagecolumn104

[9]Patent:US2010/22581,2010,A1.Locationinpatent:Page/Pagecolumn37;41

[10]Patent:WO2007/98418,2007,A1.Locationinpatent:Page/Pagecolumn130-131;141

[11]Synthesis,2014,vol.46

[12]JournalofOrganicChemistry,2019

[13]JournalofOrganicChemistry,2019,vol.84,p.6084-6093

[14]Patent:WO2012/9678,2012,A1.Locationinpatent:Page/Pagecolumn222-223

[15]AustralianJournalofChemistry,1956,vol.9,p.397,402

[16]Patent:US4721784,1988,A

[17]Patent:US6248739,2001,B1

[18]BioorganicandMedicinalChemistry,2008,vol.16,p.7956-7967

[19]Patent:US2008/305169,2008,A1

[20]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.4700-4704

[21]Patent:US2010/16297,2010,A1.Locationinpatent:Page/Pagecolumn26

[22]Patent:US2007/10670,2007,A1.Locationinpatent:Page/Pagecolumn79-80

[23]Patent:US2007/197512,2007,A1.Locationinpatent:Page/Pagecolumn49

[24]Patent:WO2011/26085,2011,A2.Locationinpatent:Page/Pagecolumn58

[25]Patent:WO2011/48148,2011,A2.Locationinpatent:Page/Pagecolumn60

[26]Patent:WO2011/48112,2011,A1.Locationinpatent:Page/Pagecolumn79-80;90

[27]Patent:US2011/171159,2011,A1.Locationinpatent:Page/Pagecolumn33

[28]Patent:US2012/196813,2012,A1.Locationinpatent:Page/Pagecolumn25

[29]Patent:WO2013/128465,2013,A1.Locationinpatent:Page/Pagecolumn98

[30]JournalofMedicinalChemistry,2014,vol.57,p.2670-2682

[31]Patent:US2015/158860,2015,A1.Locationinpatent:Paragraph0345

[32]Patent:US2008/64871,2008,A1.Locationinpatent:Page/Pagecolumn43

[33]Patent:US2008/64871,2008,A1.Locationinpatent:Page/Pagecolumn87;88;89;89-90

[1]JournalofMedicinalChemistry,1993,vol.36,p.3693-3699

[2]Patent:WO2011/103460,2011,A1.Locationinpatent:Page/Pagecolumn240

[3]JournalofMedicinalChemistry,2014,vol.57,p.2670-2682

[1]JournaloftheAmericanChemicalSociety,2001,vol.123,p.12202-12206

[2]JournaloftheAmericanChemicalSociety,2000,vol.122,p.12907-12908

[1]TetrahedronLetters,2006,vol.47,p.7823-7826

[2]Patent:WO2011/47432,2011,A1.Locationinpatent:Page/Pagecolumn88

[3]HeterocyclicCommunications,2012,vol.18,p.143-146

[4]Patent:WO2010/51374,2010,A1.Locationinpatent:Page/Pagecolumn132

[5]Patent:EP2172453,2010,A1.Locationinpatent:Page/Pagecolumn13

[6]Patent:WO2011/103460,2011,A1.Locationinpatent:Page/Pagecolumn240

[7]Biomolecules,2019,vol.9

[1]Patent:WO2019/129591,2019,A1.Locationinpatent:Page/Pagecolumn33

[2]TetrahedronLetters,2007,vol.48,p.2765-2768

Literature

Title: Fluorinated dual antithrombotic compounds based on 1,4-benzoxazine scaffold.

Journal: European journal of medicinal chemistry 20120401

Title: Regioselective synthesis of heterocycles containing nitrogen neighboring an aromatic ring by reductive ring expansion using diisobutylaluminum hydride and studies on the reaction mechanism.

Journal: The Journal of organic chemistry 20100205

Title: 3,4-Dihydro-2H-1,4-benzoxazine derivatives combining thrombin inhibitory and glycoprotein IIb/IIIa receptor antagonistic activity as a novel class of antithrombotic compounds with dual function.

Journal: Journal of medicinal chemistry 20080925

Title: Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines.

Journal: Bioorganic & medicinal chemistry letters 20080815

Title: Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.

Journal: Journal of medicinal chemistry 20080327

Title: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives as 5-HT6 receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20070615

Title: A new synthesis of 2,3-dihydrobenzo[1,4]dioxine and 3,4-dihydro-2H-benzo[1,4]oxazine derivatives by tandem palladium-catalyzed oxidative aminocarbonylation-cyclization of 2-prop-2-ynyloxyphenols and 2-prop-2-ynyloxyanilines.

Journal: The Journal of organic chemistry 20060929

Title: Development of 3,4-dihydro-2H-benzo[1,4]oxazine derivatives as dual thromboxane A2 receptor antagonists and prostacyclin receptor agonists.

Journal: Bioorganic & medicinal chemistry 20060315

Title: Studies toward the discovery of the next generation of antidepressants. Part 5: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives with dual 5-HT1A receptor and serotonin transporter affinity.

Journal: Bioorganic & medicinal chemistry letters 20060301

Title: Generation of arylnitrenium ions by nitro-reduction and gas-phase synthesis of N-heterocycles.

Journal: Journal of the American Society for Mass Spectrometry 20041101

Title: (Z)-7-Chloro-3-[(3-chlorophenyl)-methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010601

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