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99960-09-5,MFCD00041063
Catalog No.:AA003EZB

99960-09-5 | 2-(Ethoxycarbonyl)phenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
99%
2 weeks  
$352.00   $246.00
- +
50g
99%
2 weeks  
$1,058.00   $740.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003EZB
Chemical Name:
2-(Ethoxycarbonyl)phenyl isothiocyanate
CAS Number:
99960-09-5
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00041063
SMILES:
CCOC(=O)c1ccccc1N=C=S
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
4.2  

Downstream Synthesis Route
454-89-7    99960-09-5    171778-06-6   
2-4-carbamoylmethyl-3-(3-trifluoromethyl-benzyl)-3,4-dihydro-quinazolin-2-ylamino-benzoicacidethylester 

[1]Song,Aimin;Mařík,Jan;Lam,KitS.[TetrahedronLetters,2004,vol.45,#13,p.2727-2730]

[1]Locationinpatent:experimentalpartKobayashi,Kazuhiro;Hashimoto,Hiroo;Kanbe,Yuuki;Konishi,Hisatoshi[Tetrahedron,2011,vol.67,#25,p.4535-4538]

Literature

Title: Substituted 2-methylene-1,3-oxazolidines, -1,3-thiazolidines, -1,3-benzothiazines, -1,3-oxazines, and substituted imidazopyrimidinediones from Cl(CH2)nNCO and Cl(CH2)nNCS and active methylene compounds.

Journal: The Journal of organic chemistry 20061222

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SDS
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Tags:99960-09-5 Molecular Formula|99960-09-5 MDL|99960-09-5 SMILES|99960-09-5 2-(Ethoxycarbonyl)phenyl isothiocyanate