5437-45-6,MFCD00000190
Catalog No.:AA003O0R

5437-45-6 | Benzyl 2-bromoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$9.00   $7.00
- +
100g
98%
in stock  
$26.00   $18.00
- +
500g
98%
in stock  
$84.00   $59.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003O0R
Chemical Name:
Benzyl 2-bromoacetate
CAS Number:
5437-45-6
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00000190
SMILES:
BrCC(=O)OCc1ccccc1
Properties
Properties
 
BP:
287.8°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.544(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
142  
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:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Patent:US6479519,2002,B1,

[1]JournalofMolecularCatalysisA:Chemical,2013,vol.367,p.116-120

[1]Tetrahedron,2008,vol.64,#8,p.1823-1828

[2]JournalofMaterialsChemistry,2010,vol.20,#41,p.9226-9230

[3]Patent:EP2345651,2011,A1,.Locationinpatent:Page/Pagecolumn11

[4]Patent:EP2345638,2011,A1,.Locationinpatent:Page/Pagecolumn11

[5]Patent:EP2460795,2012,A1,.Locationinpatent:Page/Pagecolumn9

[6]AngewandteChemie-InternationalEdition,2018,vol.57,#11,p.2958-2962

[7]Angew.Chem.,2018,vol.130,#11,p.3008-3013,6

[8]JournalofMolecularCatalysisA:Chemical,2013,vol.367,p.116-120

[9]JournalofMedicinalChemistry,2012,vol.55,#14,p.6541-6553

[10]TetrahedronLetters,1996,vol.37,#37,p.6653-6656

[11]JournaloftheChemicalSociety,1910,vol.97,p.426

[12]MonatsheftefuerChemie,1913,vol.34,p.1874

[13]JournalofAgriculturalandFoodChemistry,1958,vol.6,p.843

[14]J.Gen.Chem.USSR(Engl.Transl.),1967,vol.37,#9,p.1880-1885

[15]ZhurnalObshcheiKhimii,1967,vol.37,#9,p.1980-1987

[16]TheJournaloforganicchemistry,1976,vol.41,#4,p.699-700

[17]Patent:EP2495246,2012,A1,.Locationinpatent:Page/Pagecolumn12-13

[18]MedicinalChemistryResearch,2014,vol.23,#1,p.503-517

[19]OrganicLetters,2017,vol.19,#13,p.3524-3527

[20]Patent:JP2017/210426,2017,A,.Locationinpatent:Paragraph0053;0054

[1]OrganicSyntheses,2012,vol.89,p.501-509

[2]Synthesis,2003,#17,p.2647-2654

[3]OrganicLetters,2007,vol.9,#16,p.3195-3197

[4]AngewandteChemie-InternationalEdition,2010,vol.49,#52,p.10181-10185

[5]OrganicLetters,2016,vol.18,#10,p.2443-2446

[6]Chemistry-AEuropeanJournal,2016,vol.22,#38,p.13599-13612

[7]JournalofOrganicChemistry,2017,vol.82,#1,p.502-511

[8]OrganicLetters,2017,vol.19,#9,p.2282-2285

[9]AsianJournalofChemistry,2017,vol.29,#10,p.2171-2176

[10]MedicinalChemistryResearch,2018,vol.27,#2,p.458-469

[11]AdvancedSynthesisandCatalysis,2018,vol.360,#7,p.1510-1516

[12]ChemicalCommunications,2018,vol.54,#28,p.3516-3519

[13]OrganicLetters,2018,vol.20,#9,p.2663-2666

[14]OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687

[15]JournalofHeterocyclicChemistry,2018,vol.55,#7,p.1720-1728

[16]ChineseJournalofChemistry,2018,vol.36,#9,p.857-865

[17]Synthesis(Germany),2018,vol.50,#16,p.3187-3196

[18]JournaloftheAmericanChemicalSociety,2018,vol.140,#50,p.17773-17781

[1]ChemicalCommunications,2009,#41,p.6249-6251

Downstream Synthesis Route
10441-57-3    5437-45-6   
5-Benzyloxycarbonylmethylsulfanyl-1-methyl-3,4-dihydro-2H-pyrrolium;bromide 

[1]SyntheticCommunications,1990,vol.20,p.1977-1981

[1]BulletinoftheChemicalSocietyofJapan,1980,vol.53,p.2555-2565

114727-43-4    5437-45-6   
trans-3-(3,4-dichlorobenzylidene)oxindole-1-aceticacidbenzylester 
  114727-48-9 

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.779-789

[1]JournalofMedicinalChemistry,1995,vol.38,p.1582-1592

[1]JournalofMedicinalChemistry,1996,vol.39,p.4531-4536

[2]Patent:WO2016/118877,2016,A1.Locationinpatent:Paragraph00209

Literature

Title: Light-harvesting cross-linked polymers for efficient heterogeneous photocatalysis.

Journal: ACS applied materials & interfaces 20120401

Title: Convenient and scalable synthesis of fmoc-protected Peptide nucleic Acid backbone.

Journal: Journal of nucleic acids 20120101

Title: Novel lipophilic acetohydroxamic acid derivatives based on conformationally constrained spiro carbocyclic 2,6-diketopiperazine scaffolds with potent trypanocidal activity.

Journal: Journal of medicinal chemistry 20110728

Quotation Request
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Additional Info:
SDS
Tags:5437-45-6 Molecular Formula|5437-45-6 MDL|5437-45-6 SMILES|5437-45-6 Benzyl 2-bromoacetate
Catalog No.: AA003O0R
5437-45-6,MFCD00000190
5437-45-6 | Benzyl 2-bromoacetate
Pack Size: 5g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 10g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 25g
Purity: 98%
in stock
$9.00 $7.00
Pack Size: 100g
Purity: 98%
in stock
$26.00 $18.00
Pack Size: 500g
Purity: 98%
in stock
$84.00 $59.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003O0R
Chemical Name: Benzyl 2-bromoacetate
CAS Number: 5437-45-6
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706
MDL Number: MFCD00000190
SMILES: BrCC(=O)OCc1ccccc1
Properties
BP: 287.8°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.544(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 142  
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: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Upstream Synthesis Route
109-01-3    5437-45-6    54699-92-2 

[1]Patent:US6479519,2002,B1,

79-08-3    100-51-6    103-50-4    5437-45-6 

[1]JournalofMolecularCatalysisA:Chemical,2013,vol.367,p.116-120

79-08-3    100-51-6    5437-45-6 

[1]Tetrahedron,2008,vol.64,#8,p.1823-1828

[2]JournalofMaterialsChemistry,2010,vol.20,#41,p.9226-9230

[3]Patent:EP2345651,2011,A1,.Locationinpatent:Page/Pagecolumn11

[4]Patent:EP2345638,2011,A1,.Locationinpatent:Page/Pagecolumn11

[5]Patent:EP2460795,2012,A1,.Locationinpatent:Page/Pagecolumn9

[6]AngewandteChemie-InternationalEdition,2018,vol.57,#11,p.2958-2962

[7]Angew.Chem.,2018,vol.130,#11,p.3008-3013,6

[8]JournalofMolecularCatalysisA:Chemical,2013,vol.367,p.116-120

[9]JournalofMedicinalChemistry,2012,vol.55,#14,p.6541-6553

[10]TetrahedronLetters,1996,vol.37,#37,p.6653-6656

[11]JournaloftheChemicalSociety,1910,vol.97,p.426

[12]MonatsheftefuerChemie,1913,vol.34,p.1874

[13]JournalofAgriculturalandFoodChemistry,1958,vol.6,p.843

[14]J.Gen.Chem.USSR(Engl.Transl.),1967,vol.37,#9,p.1880-1885

[15]ZhurnalObshcheiKhimii,1967,vol.37,#9,p.1980-1987

[16]TheJournaloforganicchemistry,1976,vol.41,#4,p.699-700

[17]Patent:EP2495246,2012,A1,.Locationinpatent:Page/Pagecolumn12-13

[18]MedicinalChemistryResearch,2014,vol.23,#1,p.503-517

[19]OrganicLetters,2017,vol.19,#13,p.3524-3527

[20]Patent:JP2017/210426,2017,A,.Locationinpatent:Paragraph0053;0054

598-21-0    100-51-6    5437-45-6 

[1]OrganicSyntheses,2012,vol.89,p.501-509

[2]Synthesis,2003,#17,p.2647-2654

[3]OrganicLetters,2007,vol.9,#16,p.3195-3197

[4]AngewandteChemie-InternationalEdition,2010,vol.49,#52,p.10181-10185

[5]OrganicLetters,2016,vol.18,#10,p.2443-2446

[6]Chemistry-AEuropeanJournal,2016,vol.22,#38,p.13599-13612

[7]JournalofOrganicChemistry,2017,vol.82,#1,p.502-511

[8]OrganicLetters,2017,vol.19,#9,p.2282-2285

[9]AsianJournalofChemistry,2017,vol.29,#10,p.2171-2176

[10]MedicinalChemistryResearch,2018,vol.27,#2,p.458-469

[11]AdvancedSynthesisandCatalysis,2018,vol.360,#7,p.1510-1516

[12]ChemicalCommunications,2018,vol.54,#28,p.3516-3519

[13]OrganicLetters,2018,vol.20,#9,p.2663-2666

[14]OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687

[15]JournalofHeterocyclicChemistry,2018,vol.55,#7,p.1720-1728

[16]ChineseJournalofChemistry,2018,vol.36,#9,p.857-865

[17]Synthesis(Germany),2018,vol.50,#16,p.3187-3196

[18]JournaloftheAmericanChemicalSociety,2018,vol.140,#50,p.17773-17781

96-32-2    100-51-6    5437-45-6 

[1]ChemicalCommunications,2009,#41,p.6249-6251

Downstream Synthesis Route
10441-57-3    5437-45-6   
5-Benzyloxycarbonylmethylsulfanyl-1-methyl-3,4-dihydro-2H-pyrrolium;bromide 

[1]SyntheticCommunications,1990,vol.20,p.1977-1981

16652-76-9    5437-45-6    77328-25-7 

[1]BulletinoftheChemicalSocietyofJapan,1980,vol.53,p.2555-2565

114727-43-4    5437-45-6   
trans-3-(3,4-dichlorobenzylidene)oxindole-1-aceticacidbenzylester 
  114727-48-9 

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.779-789

26562-81-2    5437-45-6    159923-31-6 

[1]JournalofMedicinalChemistry,1995,vol.38,p.1582-1592

92235-39-7    5437-45-6    175133-83-2 

[1]JournalofMedicinalChemistry,1996,vol.39,p.4531-4536

[2]Patent:WO2016/118877,2016,A1.Locationinpatent:Paragraph00209

Literature fold

Title: Light-harvesting cross-linked polymers for efficient heterogeneous photocatalysis.

Journal: ACS applied materials & interfaces20120401

Title: Convenient and scalable synthesis of fmoc-protected Peptide nucleic Acid backbone.

Journal: Journal of nucleic acids20120101

Title: Novel lipophilic acetohydroxamic acid derivatives based on conformationally constrained spiro carbocyclic 2,6-diketopiperazine scaffolds with potent trypanocidal activity.

Journal: Journal of medicinal chemistry20110728

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