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120539-91-5,MFCD10698152
Catalog No.:AA0080VR

120539-91-5 | Benzyl prop-2-yn-1-ylcarbamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$39.00   $28.00
- +
5g
95%
in stock  
$83.00   $58.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0080VR
Chemical Name:
Benzyl prop-2-yn-1-ylcarbamate
CAS Number:
120539-91-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD10698152
SMILES:
C#CCNC(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Matsuda,Isamu;Sakakibara,Jun;Nagashima,Hideo[TetrahedronLetters,1991,vol.32,#50,p.7431-7434]

64214-60-4    120539-91-5   
benzyl(5,5-dimethyl-4-oxohex-2-ynyl)carbamate 

[1]Synthesis,1995,p.276-284

[1]Masquelin;Obrecht[Synthesis,1995,#3,p.276-284]

[2]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

[3]He,Yong;Mahmud,Hossen;Moningka,Remond;Lovely,CarlJ.;Dias,H.V.Rasika[Tetrahedron,2006,vol.62,#37,p.8755-8769]

[1]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

[2]Sajiki,Hironao;Hattori,Kazuyuki;Hirota,Kosaku[JournalofOrganicChemistry,1998,vol.63,#22,p.7990-7992]

[1]Monguchi,Yasunari;Marumoto,Takahisa;Ichikawa,Tomohiro;Miyake,Yutaka;Nagae,Yoshiyuki;Yoshida,Michiyuki;Oumi,Yasunori;Sawama,Yoshinari;Sajiki,Hironao[ChemCatChem,2015,vol.7,#14,p.2155-2160]

[2]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

Literature
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SDS
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Tags:120539-91-5 Molecular Formula|120539-91-5 MDL|120539-91-5 SMILES|120539-91-5 Benzyl prop-2-yn-1-ylcarbamate
Catalog No.: AA0080VR
120539-91-5,MFCD10698152
120539-91-5 | Benzyl prop-2-yn-1-ylcarbamate
Pack Size： 1g
Purity： 98%
in stock
$39.00 $28.00
Pack Size： 5g
Purity： 95%
in stock
$83.00 $58.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0080VR
Chemical Name: Benzyl prop-2-yn-1-ylcarbamate
CAS Number: 120539-91-5
Molecular Formula: C11H11NO2
Molecular Weight: 189.2105
MDL Number: MFCD10698152
SMILES: C#CCNC(=O)OCc1ccccc1
Properties
Complexity: 223  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
201230-82-2    766-77-8    120539-91-5    139372-23-9 

[1]Matsuda,Isamu;Sakakibara,Jun;Nagashima,Hideo[TetrahedronLetters,1991,vol.32,#50,p.7431-7434]

64214-60-4    120539-91-5   
benzyl(5,5-dimethyl-4-oxohex-2-ynyl)carbamate 

[1]Synthesis,1995,p.276-284

13139-17-8    2450-71-7    120539-91-5 

[1]Masquelin;Obrecht[Synthesis,1995,#3,p.276-284]

[2]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

[3]He,Yong;Mahmud,Hossen;Moningka,Remond;Lovely,CarlJ.;Dias,H.V.Rasika[Tetrahedron,2006,vol.62,#37,p.8755-8769]

120539-91-5    65095-17-2 

[1]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

[2]Sajiki,Hironao;Hattori,Kazuyuki;Hirota,Kosaku[JournalofOrganicChemistry,1998,vol.63,#22,p.7990-7992]

120539-91-5    107-10-8 

[1]Monguchi,Yasunari;Marumoto,Takahisa;Ichikawa,Tomohiro;Miyake,Yutaka;Nagae,Yoshiyuki;Yoshida,Michiyuki;Oumi,Yasunori;Sawama,Yoshinari;Sajiki,Hironao[ChemCatChem,2015,vol.7,#14,p.2155-2160]

[2]Hattori,Kazuyuki;Sajiki,Hironao;Hirota,Kosaku[Tetrahedron,2000,vol.56,#43,p.8433-8441]

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