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1129-35-7,MFCD00001823
Catalog No.:AA003L6E

1129-35-7 | Methyl 4-cyanobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$9.00   $7.00
- +
25g
98%
in stock  
$29.00   $21.00
- +
100g
98%
in stock  
$115.00   $81.00
- +
  • 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:
AA003L6E
Chemical Name:
Methyl 4-cyanobenzoate
CAS Number:
1129-35-7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00001823
SMILES:
COC(=O)c1ccc(cc1)C#N
Properties
Properties
 
BP:
142-144°C at 760 mmHg  
Form:
Solid  
MP:
65-67 °C  
Refractive Index:
1.5050 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
208  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2  

Upstream Synthesis Route

[1]OrganicProcessResearchandDevelopment,2015,vol.19,#3,p.444-448

[1]BollettinoChimicoFarmaceutico,1999,vol.138,#8,p.432-436

[2]Patent:US5668159,1997,A,

[3]Patent:WO2012/76898,2012,A1,.Locationinpatent:Page/Pagecolumn71

[4]JournalofMedicinalChemistry,2013,vol.56,#7,p.3012-3023

[5]Patent:WO2010/139966,2010,A1,.Locationinpatent:Page/Pagecolumn123

[6]BioorganicandMedicinalChemistry,2009,vol.17,#8,p.3028-3036

[7]BioorganicandMedicinalChemistry,2011,vol.19,#21,p.6293-6301

[8]MagneticResonanceinChemistry,2011,vol.49,#10,p.648-654

[9]EuropeanJournalofMedicinalChemistry,2013,vol.61,p.26-40

[10]BioorganicandMedicinalChemistry,2013,vol.21,#17,p.5395-5406

[11]BioorganicChemistry,2018,vol.78,p.58-67

[12]ChineseJournalofChemistry,2018,vol.36,#8,p.698-707

[1]Patent:WO2012/54367,2012,A1,.Locationinpatent:Page/Pagecolumn49-50

[1]BulletinoftheChemicalSocietyofJapan,1983,vol.56,#5,p.1490-1496

[1]Synlett,2001,#10,p.1623-1625

[2]ChemicalScience,2018,vol.9,#45,p.8553-8560

[3]Patent:EP775133,2001,B1,

[4]ChemCatChem,2016,vol.8,#7,p.1329-1334

[5]Chemistry-AEuropeanJournal,2008,vol.14,#31,p.9491-9494

[6]JournaloftheAmericanChemicalSociety,1982,vol.104,#24,p.6801-6802

[7]AngewandteChemie-InternationalEdition,2016,vol.55,#47,p.14653-14657

[8]Angew.Chem.,2016,vol.128,#47,p.14873-14877,5

[9]CatalysisScienceandTechnology,2014,vol.4,#3,p.629-632

[10]EuropeanJournalofOrganicChemistry,2015,vol.2015,#27,p.5944-5948

[11]JournaloftheAmericanChemicalSociety,2017,vol.139,#38,p.13554-13561

Downstream Synthesis Route

[1]Synlett,2001,p.1623-1625

[2]ChemicalScience,2018,vol.9,p.8553-8560

[3]Patent:EP775133,2001,B1

[4]ChemCatChem,2016,vol.8,p.1329-1334

[5]Chemistry-AEuropeanJournal,2008,vol.14,p.9491-9494

[6]JournaloftheAmericanChemicalSociety,1982,vol.104,p.6801-6802

[7]AngewandteChemie-InternationalEdition,2016,vol.55,p.14653-14657    Angew.Chem.,2016,vol.128,p.14873-14877,5

[8]Catalysisscienceandtechnology,2014,vol.4,p.629-632

[9]EuropeanJournalofOrganicChemistry,2015,vol.2015,p.5944-5948

[10]JournaloftheAmericanChemicalSociety,2017,vol.139,p.13554-13561

[1]JournalofOrganicChemistry,2018,vol.83,p.1431-1440

[2]TetrahedronLetters,1983,vol.24,p.2575-2576

[3]NewJournalofChemistry,2013,vol.37,p.2061-2065

[4]Chemistry-AEuropeanJournal,2015,vol.21,p.2785-2788

[5]Chemicalandpharmaceuticalbulletin,1976,vol.24,p.1059-1063

[6]OrganicandBiomolecularChemistry,2008,vol.6,p.1251-1259

[1]Chemicalandpharmaceuticalbulletin,1984,vol.32,p.2560-2564

[2]OrganicProcessResearchandDevelopment,2015,vol.19,p.444-448

[3]EuropeanJournalofOrganicChemistry,2013,p.1889-1893

[4]Synthesis,2015,vol.47,p.3758-3766

[5]ChemicalCommunications,2009,p.4883-4885

[1]Tetrahedron,1982,vol.38,p.1203-1211

[1]Liu,Jinping;Hsieh,You-Zoung;Wiesler,Donald;Novotny,Milos[AnalyticalChemistry,1991,vol.63,#5,p.408-412]

Literature

Title: Influence of solvent, electron acceptors and arenes on photochemical decarboxylation of free carboxylic acids via single electron transfer (SET).

Journal: Molecules (Basel, Switzerland) 20100412

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SDS
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