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76315-01-0,MFCD02094473
Catalog No.:AA00G4JF

76315-01-0 | 2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$20.00   $14.00
- +
5g
97%
in stock  
$161.00   $113.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00G4JF
Chemical Name:
2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid
CAS Number:
76315-01-0
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD02094473
SMILES:
O=C(N(Cc1ccccc1)CC(=O)O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Upstream Synthesis Route

[1]TetrahedronLetters,1995,vol.36,#37,p.6627-6630

[1]Patent:WO2008/76805,2008,A2,.Locationinpatent:Page/Pagecolumn127

[2]EuropeanJournalofMedicinalChemistry,2015,vol.90,p.547-567

[3]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1997,#11,p.1681-1690

[4]Patent:WO2007/58862,2007,A2,.Locationinpatent:Page/Pagecolumn65

[1]JournaloftheAmericanChemicalSociety,2003,vol.125,#35,p.10664-10671

[2]PolishJournalofChemistry,2002,vol.76,#6,p.823-830

[3]SyntheticCommunications,1994,vol.24,#17,p.2429-2435

[4]ActaCrystallographicaSectionC:CrystalStructureCommunications,1998,vol.54,#8,p.1164-1165

[5]Patent:US2010/16316,2010,A1,.Locationinpatent:Page/Pagecolumn63

[6]Patent:WO2018/60926,2018,A1,.Locationinpatent:Paragraph00203

[1]JournalofMedicinalChemistry,1996,vol.39,#7,p.1472-1484

[2]JournalofMedicinalChemistry,2005,vol.48,#6,p.1768-1780

[3]Tetrahedron,2010,vol.66,#21,p.3723-3729

[1]PolishJournalofChemistry,1994,vol.68,#5,p.1047-1054

[2]Patent:US6288091,2001,B1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1983,vol.26,p.167-174

[1]Patent:WO2008/76805,2008,A2.Locationinpatent:Page/Pagecolumn127

[2]EuropeanJournalofMedicinalChemistry,2015,vol.90,p.547-567

[3]JournaloftheChemicalSociety.PerkintransactionsI,1997,p.1681-1690

[4]Patent:WO2007/58862,2007,A2.Locationinpatent:Page/Pagecolumn65

(3H-imidazol-4-ylmethyl)-phenylamine 
  76315-01-0    910910-75-7 

[1]JournalofMedicinalChemistry,2006,vol.49,p.5710-5727

C24H39NO7Si 
  76315-01-0   
C38H56N2O10Si 

[1]Heterocycles,2007,vol.72,p.385-398

76315-01-0   
FTI-2581 

[1]JournalofMedicinalChemistry,2006,vol.49,p.5710-5727

Literature
Quotation Request
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SDS
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Tags:76315-01-0 Molecular Formula|76315-01-0 MDL|76315-01-0 SMILES|76315-01-0 2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid
Catalog No.: AA00G4JF
76315-01-0,MFCD02094473
76315-01-0 | 2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid
Pack Size： 250mg
Purity： 97%
in stock
$20.00 $14.00
Pack Size： 5g
Purity： 97%
in stock
$161.00 $113.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00G4JF
Chemical Name: 2-(Benzyl(tert-butoxycarbonyl)amino)acetic acid
CAS Number: 76315-01-0
Molecular Formula: C14H19NO4
Molecular Weight: 265.3050
MDL Number: MFCD02094473
SMILES: O=C(N(Cc1ccccc1)CC(=O)O)OC(C)(C)C
Properties
Complexity: 316  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Upstream Synthesis Route
124-38-9    81616-14-0    30925-08-7    76315-01-0    30925-12-3 

[1]TetrahedronLetters,1995,vol.36,#37,p.6627-6630

24424-99-5    7689-50-1    76315-01-0 

[1]Patent:WO2008/76805,2008,A2,.Locationinpatent:Page/Pagecolumn127

[2]EuropeanJournalofMedicinalChemistry,2015,vol.90,p.547-567

[3]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1997,#11,p.1681-1690

[4]Patent:WO2007/58862,2007,A2,.Locationinpatent:Page/Pagecolumn65

24424-99-5    17136-36-6    76315-01-0 

[1]JournaloftheAmericanChemicalSociety,2003,vol.125,#35,p.10664-10671

[2]PolishJournalofChemistry,2002,vol.76,#6,p.823-830

[3]SyntheticCommunications,1994,vol.24,#17,p.2429-2435

[4]ActaCrystallographicaSectionC:CrystalStructureCommunications,1998,vol.54,#8,p.1164-1165

[5]Patent:US2010/16316,2010,A1,.Locationinpatent:Page/Pagecolumn63

[6]Patent:WO2018/60926,2018,A1,.Locationinpatent:Paragraph00203

136159-62-1    76315-01-0 

[1]JournalofMedicinalChemistry,1996,vol.39,#7,p.1472-1484

[2]JournalofMedicinalChemistry,2005,vol.48,#6,p.1768-1780

[3]Tetrahedron,2010,vol.66,#21,p.3723-3729

4530-20-5    100-39-0    76315-01-0 

[1]PolishJournalofChemistry,1994,vol.68,#5,p.1047-1054

[2]Patent:US6288091,2001,B1,

Downstream Synthesis Route
58632-95-4    7689-50-1    76315-01-0 

[1]JournalofMedicinalChemistry,1983,vol.26,p.167-174

24424-99-5    7689-50-1    76315-01-0 

[1]Patent:WO2008/76805,2008,A2.Locationinpatent:Page/Pagecolumn127

[2]EuropeanJournalofMedicinalChemistry,2015,vol.90,p.547-567

[3]JournaloftheChemicalSociety.PerkintransactionsI,1997,p.1681-1690

[4]Patent:WO2007/58862,2007,A2.Locationinpatent:Page/Pagecolumn65

(3H-imidazol-4-ylmethyl)-phenylamine 
  76315-01-0    910910-75-7 

[1]JournalofMedicinalChemistry,2006,vol.49,p.5710-5727

C24H39NO7Si 
  76315-01-0   
C38H56N2O10Si 

[1]Heterocycles,2007,vol.72,p.385-398

76315-01-0   
FTI-2581 

[1]JournalofMedicinalChemistry,2006,vol.49,p.5710-5727

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