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23138-53-6,MFCD01863690
Catalog No.:AA002M8F

23138-53-6 | Methyl 4-isocyanatobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$51.00   $36.00
- +
25g
98%
in stock  
$160.00   $112.00
- +
100g
98%
in stock  
$511.00   $358.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002M8F
Chemical Name:
Methyl 4-isocyanatobenzoate
CAS Number:
23138-53-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD01863690
SMILES:
O=C=Nc1ccc(cc1)C(=O)OC
NSC Number:
132096
Properties
Properties
 
Form:
Solid  
MP:
50-52 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3.1  

Downstream Synthesis Route
13637-38-2    23138-53-6   
1,3-dihydro-N-<4-(methoxycarbonyl)phenyl>-1-methyl-2H-indole-2-thione 

[1]Palmer;Rewcastle;Thompson;Boyd;Showalter;Sercel;Fry;Kraker;Denny[JournalofMedicinalChemistry,1995,vol.38,#1,p.58-67]

[1]Hasan,Riaz;Nishimura,Keiichiro;Ueno,Tamio[PesticideScience,1994,vol.42,#4,p.291-298]

[2]Gorska,Katarzyna;Manicardi,Alex;Barluenga,Sofia;Winssinger,Nicolas[ChemicalCommunications,2011,vol.47,#15,p.4364-4366]

[3]Park,EunBit;Jeong,Kyu-Sung[ChemicalCommunications,2015,vol.51,#44,p.9197-9200]

(4RS)-3-(4-Chlorophenyl)-4-methoxycarbonyl-4-methyl-2-pyrazoliniumchloride 
  23138-53-6   
3-(4-chloro-phenyl)-1-(4-methoxycarbonyl-phenylcarbamoyl)-4-methyl-4,5-dihydro-1<i>H</i>-pyrazole-4-carboxylicacidmethylester 

[1]Hasan,Riaz;Nishimura,Keiichiro;Ueno,Tamio[PesticideScience,1994,vol.42,#4,p.291-298]

[1]Wagner,Stefan;Kopka,Klaus;Law,MarilynP.;Riemann,Burkhard;Pike,VictorW.;Schober,Otmar;Schaefers,Michael[BioorganicandMedicinalChemistry,2004,vol.12,#15,p.4117-4132]

613-94-5    23138-53-6   
C16H15N3O4 

[1]Baxendale,IanR.;Ley,StevenV.;Martinelli,Marisa[Tetrahedron,2005,vol.61,#22,p.5323-5349]

[2]CurrentPatentAssignee:ITALFARMACOSPA-WO2018/189340,2018,A1Locationinpatent:Page/Pagecolumn60

[3]Vergani,Barbara;Sandrone,Giovanni;Marchini,Mattia;Ripamonti,Chiara;Cellupica,Edoardo;Galbiati,Elisabetta;Caprini,Gianluca;Pavich,Gianfranco;Porro,Giulia;Rocchio,Ilaria;Lattanzio,Maria;Pezzuto,Marcello;Skorupska,Malgorzata;Cordella,Paola;Pagani,Paolo;Pozzi,Pietro;Pomarico,Roberta;Modena,Daniela;Leoni,Flavio;Perego,Raffaella;Fossati,Gianluca;Steinkühler,Christian;Stevenazzi,Andrea[JournalofMedicinalChemistry,2019,vol.62,#23,p.10711-10739]

Literature
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SDS
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