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5471-81-8,MFCD02683863
Catalog No.:AA003RSY

5471-81-8 | methyl 4-iodo-3-methylbenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$13.00   $9.00
- +
10g
98%
in stock  
$24.00   $17.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003RSY
Chemical Name:
methyl 4-iodo-3-methylbenzoate
CAS Number:
5471-81-8
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD02683863
SMILES:
COC(=O)c1ccc(c(c1)C)I
NSC Number:
28460
Properties
Properties
 
BP:
299°C at 760 mmHg  
Form:
Solid  
MP:
59-62 °C  
Solubility:
Slightly soluble in methanol.  
Stability:
Light Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
170  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Synlett,2012,vol.23,#17,p.2491-2496,6

[1]OrganicLetters,2006,vol.8,#10,p.2043-2045

[2]OrganicLetters,2016,vol.18,#17,p.4166-4169

[3]JournalofOrganicChemistry,2002,vol.67,#11,p.3972-3974

[4]Patent:EP2017263,2009,A1,.Locationinpatent:Page/Pagecolumn170-171

[1]Patent:US6162815,2000,A,

[2]Patent:US5716624,1998,A,

[3]Patent:US5723499,1998,A,

[1]AdvancedSynthesisandCatalysis,2010,vol.352,#9,p.1451-1454

[2]BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4416-4420

[1]Patent:WO2008/82567,2008,A1,.Locationinpatent:Page/Pagecolumn6

[2]Patent:WO2007/79186,2007,A2,.Locationinpatent:Page/Pagecolumn63;64

Downstream Synthesis Route

[1]OrganicLetters,2006,vol.8,p.581-584

[1]OrganicLetters,2006,vol.8,p.581-584

[2]Synthesis,2014,vol.46,p.158-164

[1]OrganicLetters,2006,vol.8,p.2043-2045

[2]OrganicLetters,2016,vol.18,p.4166-4169

[3]JournalofOrganicChemistry,2002,vol.67,p.3972-3974

[4]Patent:EP2017263,2009,A1.Locationinpatent:Page/Pagecolumn170-171

N-(2-bromoethyl)pyrrole 
  5471-81-8   
10-methyl-5,6-dihydro-pyrrolo2,1-aisoquinoline-8-carboxylicacidmethylester 

[1]OrganicLetters,2006,vol.8,p.2043-2045

[1]OrganicLetters,2007,vol.9,p.3741-3744

[2]Patent:EP2647638,2013,A1.Locationinpatent:Paragraph0091

[3]Patent:WO2013/149996,2013,A1.Locationinpatent:Page/Pagecolumn40;41

[4]Patent:WO2013/149997,2013,A1.Locationinpatent:Page/Pagecolumn48;49

[5]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2016,vol.55B,p.854-881

[6]Patent:WO2014/25942,2014,A1.Locationinpatent:Page/Pagecolumn38

[7]JournalofMedicinalChemistry,2014,vol.57,p.2334-2356

[8]Patent:WO2016/154241,2016,A1.Locationinpatent:Paragraph560;562

Literature

Title: A concise synthesis of the Pennsylvania Green fluorophore and labeling of intracellular targets with O6-benzylguanine derivatives.

Journal: Organic letters 20070913

Quotation Request
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SDS
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Tags:5471-81-8 Molecular Formula|5471-81-8 MDL|5471-81-8 SMILES|5471-81-8 methyl 4-iodo-3-methylbenzoate
Catalog No.: AA003RSY
5471-81-8,MFCD02683863
5471-81-8 | methyl 4-iodo-3-methylbenzoate
Pack Size： 250mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 5g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 10g
Purity： 98%
in stock
$24.00 $17.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA003RSY
Chemical Name: methyl 4-iodo-3-methylbenzoate
CAS Number: 5471-81-8
Molecular Formula: C9H9IO2
Molecular Weight: 276.0710
MDL Number: MFCD02683863
SMILES: COC(=O)c1ccc(c(c1)C)I
NSC Number: 28460
Properties
BP: 299°C at 760 mmHg  
Form: Solid  
MP: 59-62 °C  
Solubility: Slightly soluble in methanol.  
Stability: Light Sensitive  
Storage: Keep in dry area;Room Temperature;  
Complexity: 170  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Upstream Synthesis Route
5471-81-8    75-05-8    25978-68-1 

[1]Synlett,2012,vol.23,#17,p.2491-2496,6

67-56-1    52107-87-6    5471-81-8 

[1]OrganicLetters,2006,vol.8,#10,p.2043-2045

[2]OrganicLetters,2016,vol.18,#17,p.4166-4169

[3]JournalofOrganicChemistry,2002,vol.67,#11,p.3972-3974

[4]Patent:EP2017263,2009,A1,.Locationinpatent:Page/Pagecolumn170-171

52107-87-6    5471-81-8 

[1]Patent:US6162815,2000,A,

[2]Patent:US5716624,1998,A,

[3]Patent:US5723499,1998,A,

18595-14-7    5471-81-8 

[1]AdvancedSynthesisandCatalysis,2010,vol.352,#9,p.1451-1454

[2]BioorganicandMedicinalChemistryLetters,2009,vol.19,#15,p.4416-4420

5471-81-8    158429-38-0 

[1]Patent:WO2008/82567,2008,A1,.Locationinpatent:Page/Pagecolumn6

[2]Patent:WO2007/79186,2007,A2,.Locationinpatent:Page/Pagecolumn63;64

Downstream Synthesis Route
879288-17-2    5471-81-8    879288-19-4 

[1]OrganicLetters,2006,vol.8,p.581-584

5471-81-8    430459-53-3    879288-18-3 

[1]OrganicLetters,2006,vol.8,p.581-584

[2]Synthesis,2014,vol.46,p.158-164

67-56-1    52107-87-6    5471-81-8 

[1]OrganicLetters,2006,vol.8,p.2043-2045

[2]OrganicLetters,2016,vol.18,p.4166-4169

[3]JournalofOrganicChemistry,2002,vol.67,p.3972-3974

[4]Patent:EP2017263,2009,A1.Locationinpatent:Page/Pagecolumn170-171

N-(2-bromoethyl)pyrrole 
  5471-81-8   
10-methyl-5,6-dihydro-pyrrolo2,1-aisoquinoline-8-carboxylicacidmethylester 

[1]OrganicLetters,2006,vol.8,p.2043-2045

5471-81-8    68-12-2    24078-24-8 

[1]OrganicLetters,2007,vol.9,p.3741-3744

[2]Patent:EP2647638,2013,A1.Locationinpatent:Paragraph0091

[3]Patent:WO2013/149996,2013,A1.Locationinpatent:Page/Pagecolumn40;41

[4]Patent:WO2013/149997,2013,A1.Locationinpatent:Page/Pagecolumn48;49

[5]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2016,vol.55B,p.854-881

[6]Patent:WO2014/25942,2014,A1.Locationinpatent:Page/Pagecolumn38

[7]JournalofMedicinalChemistry,2014,vol.57,p.2334-2356

[8]Patent:WO2016/154241,2016,A1.Locationinpatent:Paragraph560;562

Literature fold

Title: A concise synthesis of the Pennsylvania Green fluorophore and labeling of intracellular targets with O6-benzylguanine derivatives.

Journal: Organic letters20070913

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