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40888-14-0,MFCD13195741
Catalog No.:AA003HKJ

40888-14-0 | 2-Methyl-4-(o-tolyl)but-3-yn-2-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$75.00   $53.00
- +
5g
98%
in stock  
$202.00   $142.00
- +
25g
98%
in stock  
$583.00 $408.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003HKJ
Chemical Name:
2-Methyl-4-(o-tolyl)but-3-yn-2-ol
CAS Number:
40888-14-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD13195741
SMILES:
Cc1ccccc1C#CC(O)(C)C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,2006,vol.71,p.9004-9012

[2]AdvancedSynthesisandCatalysis,2012,vol.354,p.3421-3427

[3]TetrahedronLetters,2001,vol.42,p.3093-3095

[4]SyntheticCommunications,2009,vol.39,p.197-204

[5]Synlett,2015,vol.26,p.2447-2450

[6]OrganicLetters,2016,vol.18,p.3702-3705

[7]ChemicalCommunications,2021,vol.57,p.6280-6283

[8]OrganicLetters,2021,vol.23,p.7888-7893

Literature
Quotation Request
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SDS
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Tags:40888-14-0 Molecular Formula|40888-14-0 MDL|40888-14-0 SMILES|40888-14-0 2-Methyl-4-(o-tolyl)but-3-yn-2-ol
Catalog No.: AA003HKJ
40888-14-0,MFCD13195741
40888-14-0 | 2-Methyl-4-(o-tolyl)but-3-yn-2-ol
Pack Size： 1g
Purity： 98%
in stock
$75.00 $53.00
Pack Size： 5g
Purity： 98%
in stock
$202.00 $142.00
Pack Size： 25g
Purity： 98%
in stock
$583.00 $408.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003HKJ
Chemical Name: 2-Methyl-4-(o-tolyl)but-3-yn-2-ol
CAS Number: 40888-14-0
Molecular Formula: C12H14O
Molecular Weight: 174.2390
MDL Number: MFCD13195741
SMILES: Cc1ccccc1C#CC(O)(C)C
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 228  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
615-37-2    115-19-5    40888-14-0 

[1]JournalofOrganicChemistry,2006,vol.71,p.9004-9012

[2]AdvancedSynthesisandCatalysis,2012,vol.354,p.3421-3427

[3]TetrahedronLetters,2001,vol.42,p.3093-3095

[4]SyntheticCommunications,2009,vol.39,p.197-204

[5]Synlett,2015,vol.26,p.2447-2450

[6]OrganicLetters,2016,vol.18,p.3702-3705

[7]ChemicalCommunications,2021,vol.57,p.6280-6283

[8]OrganicLetters,2021,vol.23,p.7888-7893

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