+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Nitro Compounds 5081-36-7
5081-36-7,MFCD00007353
Catalog No.:AA006VQ0

5081-36-7 | 3-Methoxy-4-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$8.00   $6.00
- +
5g
98%
in stock  
$11.00   $8.00
- +
10g
98%
in stock  
$17.00   $12.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
100g
98%
in stock  
$54.00   $38.00
- +
  • 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:
AA006VQ0
Chemical Name:
3-Methoxy-4-nitrobenzoic acid
CAS Number:
5081-36-7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007353
SMILES:
COc1cc(ccc1[N+](=O)[O-])C(=O)O
NSC Number:
148471
Properties
Properties
 
BP:
404.9°C at 760 mmHg  
Form:
Solid  
MP:
233-235 °C(lit.)  
Refractive Index:
1.5700 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.8  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,1921,vol.119,p.1431

[1]AngewandteChemie-InternationalEdition,2018,vol.57,#24,p.7040-7045

[2]Angew.Chem.,2018,vol.130,#24,p.7158-7163,6

[1]JournaloftheAmericanChemicalSociety,1984,vol.106,#23,p.7077-7082

[1]JournaloftheAmericanChemicalSociety,1984,vol.106,#23,p.7077-7082

[1]Patent:US2016/145304,2016,A1,.Locationinpatent:Paragraph0548;0562;0563;0564

[2]ChemMedChem,2018,vol.13,#2,p.186-198

[3]JournaloftheAmericanChemicalSociety,1989,vol.111,#20,p.7957-7968

[4]eLife,2017,vol.6,

[5]AdvancedSynthesisandCatalysis,2018,vol.360,#11,p.2204-2210

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1980,vol.45,p.2243-2246

[2]OrganicProcessResearchandDevelopment,2000,vol.4,p.162-166

[3]EuropeanJournalofInorganicChemistry,1998,p.613-619

[4]Patent:CN110218150,2019,A.Locationinpatent:Paragraph0129-0131;0138

[5]JournaloftheChemicalSociety,1923,vol.123,p.1272

[6]BulletindelaSocieteChimiquedeFrance,1962,p.2255-2261

[1]ChemischeBerichte,1889,vol.22,p.2354

[2]ChemischeBerichte,1889,vol.22,p.2354

[3]ChemischeBerichte,1889,vol.22,p.2354

[1]CurrentPatentAssignee:HelmholtzAssociation;UNIVERSITYOFHANNOVER-US2016/145304,2016,A1Locationinpatent:Paragraph0548;0562;0563;0564

[2]Durcik,Martina;Tammela,Päivi;Barančoková,Michaela;Tomašič,Tihomir;Ilaš,Janez;Kikelj,Danijel;Zidar,Nace[ChemMedChem,2018,vol.13,#2,p.186-198]

[3]Adams,S.R.;Kao,J.P.Y.;Tsien,R.Y.[JournaloftheAmericanChemicalSociety,1989,vol.111,#20,p.7957-7968]

[4]Raj,GaneshV.;Sareddy,GangadharaReddy;Ma,Shihong;Lee,Tae-Kyung;Viswanadhapalli,Suryavathi;Li,Rui;Liu,Xihui;Murakami,Shino;Chen,Chien-Cheng;Lee,Wan-Ru;Mann,Monica;Krishnan,SamayaRajeshwari;Manandhar,Bikash;Gonugunta,VijayK.;Strand,Douglas;Tekmal,RajeshwarRao;Ahn,Jung-Mo;Vadlamudi,RatnaK.[eLife,2017,vol.6]

[5]Bera,SouravSekhar;Debbarma,Suvankar;Jana,Sripati;Maji,ModhuSudan[AdvancedSynthesisandCatalysis,2018,vol.360,#11,p.2204-2210]

[1]JournaloftheAmericanChemicalSociety,1984,vol.106,p.7077-7082

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2008/36843,2008,A2Locationinpatent:Page/Pagecolumn53-54

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2005/32488,2005,A2Locationinpatent:Page/Pagecolumn52

[3]Mok,N.Yi;Chadwick,James;Kellett,KatherineA.B.;Casas-Arce,Eva;Hooper,NigelM.;Johnson,A.Peter;Fishwick,ColinW.G.[JournalofMedicinalChemistry,2013,vol.56,#5,p.1843-1852]

[4]Baret,Paul;Beaujolais,Virginie;Beguin,Claude;Gaude,Didier;Pierre,Jean-Louis;Serratrice,Guy[EuropeanJournalofInorganicChemistry,1998,#5,p.613-619]

[5]CurrentPatentAssignee:SHENZHENTARGETRXINC-CN109627263,2019,ALocationinpatent:Paragraph0200;0201;0202;0203;0204;0205

[6]Rando,DanielaG.;Avery,MitchellA.;Tekwani,BabuL.;Khan,ShabanaI.;Ferreira,ElizabethI.[BioorganicandMedicinalChemistry,2008,vol.16,#14,p.6724-6731]

[7]CurrentPatentAssignee:ROCHEHOLDINGAG-US2012/15962,2012,A1Locationinpatent:Page/Pagecolumn60

Literature

Title: Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates.

Journal: ChemMedChem 20110801

Title: CdSe quantum dots capped PAMAM dendrimer nanocomposites for sensing nitroaromatic compounds.

Journal: Talanta 20110215

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 5081-36-7
Building Blocks
More >
Tags:5081-36-7 Molecular Formula|5081-36-7 MDL|5081-36-7 SMILES|5081-36-7 3-Methoxy-4-nitrobenzoic acid |Organic_Building_Blocks