98541-64-1,MFCD01318414
Catalog No.:AA003SCP

98541-64-1 | N-(tert-Butoxycarbonyl)-L-serine beta-lactone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$39.00   $27.00
- +
5g
95%
in stock  
$148.00   $104.00
- +
100g
97%
in stock  
$2,204.00 $1,543.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003SCP
Chemical Name:
N-(tert-Butoxycarbonyl)-L-serine beta-lactone
CAS Number:
98541-64-1
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD01318414
SMILES:
O=C(OC(C)(C)C)N[C@H]1COC1=O
Properties
Properties
 
BP:
319°C at 760 mmHg  
Form:
Solid  
MP:
>115°C (dec.)  
Refractive Index:
-26 ° (C=1, CH3CN)  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2007,vol.15,#3,p.1330-1340

[2]JournaloftheAmericanChemicalSociety,1985,vol.107,#24,p.7105-7109

[3]Patent:US2010/93720,2010,A1,.Locationinpatent:Page/Pagecolumn37

[4]Heterocycles,2001,vol.55,#1,p.1-4

[5]JournalofMedicinalChemistry,1996,vol.39,#22,p.4430-4438

[6]CanadianJournalofChemistry,1994,vol.72,#4,p.1066-1075

[7]JournaloftheAmericanChemicalSociety,1989,vol.111,#11,p.3973-3976

[8]JournalofOrganicChemistry,2008,vol.73,#2,p.517-521

[9]Patent:CN106083856,2016,A,.Locationinpatent:Paragraph0019;0023;0026

[10]Organicletters,2000,vol.2,#23,p.3603-3606

[11]OrganicandBiomolecularChemistry,2008,vol.6,#20,p.3661-3663

[12]TetrahedronLetters,2006,vol.47,#6,p.1019-1021

[13]EuropeanJournalofOrganicChemistry,2014,vol.2014,#35,p.7806-7809

[14]OrganicSyntheses,1992,vol.70,p.10-10

[15]MedChemComm,2016,vol.7,#11,p.2136-2144

[16]AngewandteChemie,InternationalEdition,2009,vol.48,p.4718-4724

[17]AngewandteChemie,2009,vol.121,p.4812-4818

[18]CanadianJournalofChemistry,1994,vol.72,#4,p.1051-1065

[19]JournalofOrganicChemistry,1996,vol.61,#10,p.3548-3550

[20]EuropeanJournalofOrganicChemistry,2002,#23,p.3995-4004

[21]OrganicandBiomolecularChemistry,2005,vol.3,#6,p.1058-1066

[22]Patent:EP1205471,2002,A1,.Locationinpatent:Page7

[23]Patent:US6953788,2005,B1,.Locationinpatent:Page/Pagecolumn50

[24]JournalofMedicinalChemistry,2010,vol.53,#15,p.5770-5781

[25]JournalofMedicinalChemistry,2012,vol.55,#10,p.4824-4836

[26]AdvancedSynthesisandCatalysis,2016,vol.358,#1,p.34-40

[27]Patent:US9321743,2016,B2,.Locationinpatent:Page/Pagecolumn9

[28]JournalofOrganometallicChemistry,2018,vol.876,p.1-9

[29]Patent:WO2018/167506,2018,A1,.Locationinpatent:Page/Pagecolumn28

[1]Patent:US2003/27800,2003,A1,

[2]Patent:US2003/130237,2003,A1,

[1]Heterocycles,2001,vol.55,#1,p.1-4

[2]AdvancedSynthesisandCatalysis,2016,vol.358,#1,p.34-40

[1]JournalofOrganometallicChemistry,2018,vol.876,p.1-9

[1]JournaloftheAmericanChemicalSociety,1985,vol.107,#24,p.7105-7109

Downstream Synthesis Route

[1]Patent:US2010/93720,2010,A1.Locationinpatent:Page/Pagecolumn38

[2]JournalofMedicinalChemistry,1993,vol.36,p.449-459

[1]Patent:US2010/93720,2010,A1.Locationinpatent:Page/Pagecolumn37

[2]JournalofMedicinalChemistry,1993,vol.36,p.449-459

[1]JournaloftheChemicalSociety.PerkintransactionsI,1991,p.2885-2887

[1]JournaloftheChemicalSociety.PerkintransactionsI,1991,p.2885-2887

[1]AngewandteChemie-InternationalEdition,2018,vol.57,p.14932-14936    Angew.Chem.,2018,vol.130,p.15148-15152,5

[2]OrganicandBiomolecularChemistry,2005,vol.3,p.1058-1066

[3]BioorganicandMedicinalChemistry,2016,vol.24,p.4177-4187

[4]OrganicandBiomolecularChemistry,2008,vol.6,p.3661-3663

Literature

Title: N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships.

Journal: Journal of medicinal chemistry 20120524

Quotation Request
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Additional Info:
SDS
Tags:98541-64-1 Molecular Formula|98541-64-1 MDL|98541-64-1 SMILES|98541-64-1 N-(tert-Butoxycarbonyl)-L-serine beta-lactone
Catalog No.: AA003SCP
98541-64-1,MFCD01318414
98541-64-1 | N-(tert-Butoxycarbonyl)-L-serine beta-lactone
Pack Size: 1g
Purity: 95%
in stock
$39.00 $27.00
Pack Size: 5g
Purity: 95%
in stock
$148.00 $104.00
Pack Size: 100g
Purity: 97%
in stock
$2,204.00 $1,543.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003SCP
Chemical Name: N-(tert-Butoxycarbonyl)-L-serine beta-lactone
CAS Number: 98541-64-1
Molecular Formula: C8H13NO4
Molecular Weight: 187.1931
MDL Number: MFCD01318414
SMILES: O=C(OC(C)(C)C)N[C@H]1COC1=O
Properties
BP: 319°C at 760 mmHg  
Form: Solid  
MP: >115°C (dec.)  
Refractive Index: -26 ° (C=1, CH3CN)  
Storage: Inert atmosphere;-20 ℃;  
Complexity: 231  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Upstream Synthesis Route
3262-72-4    98541-64-1 

[1]BioorganicandMedicinalChemistry,2007,vol.15,#3,p.1330-1340

[2]JournaloftheAmericanChemicalSociety,1985,vol.107,#24,p.7105-7109

[3]Patent:US2010/93720,2010,A1,.Locationinpatent:Page/Pagecolumn37

[4]Heterocycles,2001,vol.55,#1,p.1-4

[5]JournalofMedicinalChemistry,1996,vol.39,#22,p.4430-4438

[6]CanadianJournalofChemistry,1994,vol.72,#4,p.1066-1075

[7]JournaloftheAmericanChemicalSociety,1989,vol.111,#11,p.3973-3976

[8]JournalofOrganicChemistry,2008,vol.73,#2,p.517-521

[9]Patent:CN106083856,2016,A,.Locationinpatent:Paragraph0019;0023;0026

[10]Organicletters,2000,vol.2,#23,p.3603-3606

[11]OrganicandBiomolecularChemistry,2008,vol.6,#20,p.3661-3663

[12]TetrahedronLetters,2006,vol.47,#6,p.1019-1021

[13]EuropeanJournalofOrganicChemistry,2014,vol.2014,#35,p.7806-7809

[14]OrganicSyntheses,1992,vol.70,p.10-10

[15]MedChemComm,2016,vol.7,#11,p.2136-2144

[16]AngewandteChemie,InternationalEdition,2009,vol.48,p.4718-4724

[17]AngewandteChemie,2009,vol.121,p.4812-4818

[18]CanadianJournalofChemistry,1994,vol.72,#4,p.1051-1065

[19]JournalofOrganicChemistry,1996,vol.61,#10,p.3548-3550

[20]EuropeanJournalofOrganicChemistry,2002,#23,p.3995-4004

[21]OrganicandBiomolecularChemistry,2005,vol.3,#6,p.1058-1066

[22]Patent:EP1205471,2002,A1,.Locationinpatent:Page7

[23]Patent:US6953788,2005,B1,.Locationinpatent:Page/Pagecolumn50

[24]JournalofMedicinalChemistry,2010,vol.53,#15,p.5770-5781

[25]JournalofMedicinalChemistry,2012,vol.55,#10,p.4824-4836

[26]AdvancedSynthesisandCatalysis,2016,vol.358,#1,p.34-40

[27]Patent:US9321743,2016,B2,.Locationinpatent:Page/Pagecolumn9

[28]JournalofOrganometallicChemistry,2018,vol.876,p.1-9

[29]Patent:WO2018/167506,2018,A1,.Locationinpatent:Page/Pagecolumn28

3262-72-4    98541-64-1 

[1]Patent:US2003/27800,2003,A1,

[2]Patent:US2003/130237,2003,A1,

24424-99-5    98541-64-1 

[1]Heterocycles,2001,vol.55,#1,p.1-4

[2]AdvancedSynthesisandCatalysis,2016,vol.358,#1,p.34-40

2766-43-0    98541-64-1 

[1]JournalofOrganometallicChemistry,2018,vol.876,p.1-9

98541-64-1    76387-70-7 

[1]JournaloftheAmericanChemicalSociety,1985,vol.107,#24,p.7105-7109

Downstream Synthesis Route
288-13-1    98541-64-1    21012-18-0 

[1]Patent:US2010/93720,2010,A1.Locationinpatent:Page/Pagecolumn38

[2]JournalofMedicinalChemistry,1993,vol.36,p.449-459

288-32-4    98541-64-1    122225-53-0 

[1]Patent:US2010/93720,2010,A1.Locationinpatent:Page/Pagecolumn37

[2]JournalofMedicinalChemistry,1993,vol.36,p.449-459

3756-30-7    98541-64-1    138423-74-2 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1991,p.2885-2887

98541-64-1    4392-24-9    138423-73-1 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1991,p.2885-2887

98541-64-1    149411-91-6    197011-58-8 

[1]AngewandteChemie-InternationalEdition,2018,vol.57,p.14932-14936    Angew.Chem.,2018,vol.130,p.15148-15152,5

[2]OrganicandBiomolecularChemistry,2005,vol.3,p.1058-1066

[3]BioorganicandMedicinalChemistry,2016,vol.24,p.4177-4187

[4]OrganicandBiomolecularChemistry,2008,vol.6,p.3661-3663

Literature fold

Title: N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships.

Journal: Journal of medicinal chemistry20120524

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