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2046-21-1,MFCD22376711
Catalog No.:AA0029IU

2046-21-1 | Methyl 6-oxoheptanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$19.00   $14.00
- +
1g
98%
in stock  
$33.00   $23.00
- +
25g
98%
in stock  
$802.00   $561.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0029IU
Chemical Name:
Methyl 6-oxoheptanoate
CAS Number:
2046-21-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD22376711
SMILES:
COC(=O)CCCCC(=O)C
NSC Number:
148317
Properties
Computed Properties
 
Complexity:
140  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[2]BioorganicandMedicinalChemistryLetters,2002,vol.12,#17,p.2463-2465

[3]Journalofmedicinalchemistry,2004,vol.47,#20,p.4829-4837

[4]Patent:US2009/318475,2009,A1,.Locationinpatent:Page/Pagecolumn29

[5]Patent:WO2017/152032,2017,A1,.Locationinpatent:Page/Pagecolumn00499

[6]Patent:US2018/244648,2018,A1,.Locationinpatent:Paragraph0333;0334

[7]Patent:WO2018/160522,2018,A1,.Locationinpatent:Page/Pagecolumn54

[8]LiebigsAnnalenderChemie,1983,#7,p.1237-1248

[9]JournaloftheChemicalSociety,1956,p.4232,4234

[10]JournaloftheAmericanChemicalSociety,1957,vol.79,p.5027

[11]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

[12]JournalofMedicinalChemistry,1999,vol.42,#14,p.2527-2534

[13]Patent:WO2010/143158,2010,A1,.Locationinpatent:Page/Pagecolumn60

[14]Patent:US2012/115916,2012,A1,.Locationinpatent:Page/Pagecolumn24

[15]Patent:US2016/199520,2016,A1,.Locationinpatent:Paragraph0336;0337

[16]Patent:US2018/8583,2018,A1,.Locationinpatent:Paragraph0447;0448;0449

[17]Patent:WO2018/49068,2018,A1,.Locationinpatent:Paragraph0346

[18]Patent:JP2016/183151,2016,A,.Locationinpatent:Paragraph0376-0378

[1]Patent:US2015/119454,2015,A1,.Locationinpatent:Paragraph0105

[1]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[2]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[3]BulletinoftheChemicalSocietyofJapan,1999,vol.72,#11,p.2515-2521

[4]JournalofChemicalResearch-PartS,1999,#2,p.122-123

[1]Patent:US2002/40030,2002,A1,

[2]Patent:US6410526,2002,B1,

[3]Patent:US2004/38963,2004,A1,

[1]Patent:WO2016/154369,2016,A1,.Locationinpatent:Page/Pagecolumn46

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1983,vol.48,p.1133-1135

[2]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.2463-2465

[3]Journalofmedicinalchemistry,2004,vol.47,p.4829-4837

[4]Patent:US2009/318475,2009,A1.Locationinpatent:Page/Pagecolumn29

[5]Patent:WO2017/152032,2017,A1.Locationinpatent:Page/Pagecolumn00499

[6]Patent:US2018/244648,2018,A1.Locationinpatent:Paragraph0333;0334

[7]Patent:WO2018/160522,2018,A1.Locationinpatent:Page/Pagecolumn54

[8]LiebigsAnnalenderChemie,1983,p.1237-1248

[9]JournaloftheChemicalSociety,1956,p.4232,4234

[10]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

[11]JournalofMedicinalChemistry,1999,vol.42,p.2527-2534

[12]Patent:WO2010/143158,2010,A1.Locationinpatent:Page/Pagecolumn60

[13]Patent:US2012/115916,2012,A1.Locationinpatent:Page/Pagecolumn24

[14]Patent:US2016/199520,2016,A1.Locationinpatent:Paragraph0336;0337

[15]Patent:US2018/8583,2018,A1.Locationinpatent:Paragraph0447;0448;0449

[16]Patent:WO2018/49068,2018,A1.Locationinpatent:Paragraph0346

[17]Patent:JP2016/183151,2016,A.Locationinpatent:Paragraph0376-0378

[1]JournalofOrganicChemistry,1958,vol.23,p.1004

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

2046-21-1   
5-5-(3-methoxycarbonyl-propyl)-2,4-dimethyl-2,5-dihydro-thiazol-2-yl-valericacidmethylester 

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

[1]JournaloftheAmericanChemicalSociety,1957,vol.79,p.5027

Literature

Title: Synthesis of peptidomimetics, δ- and ε-lactam tetrazoles.

Journal: Molecular diversity 20120801

Quotation Request
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SDS
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Tags:2046-21-1 Molecular Formula|2046-21-1 MDL|2046-21-1 SMILES|2046-21-1 Methyl 6-oxoheptanoate
Catalog No.: AA0029IU
2046-21-1,MFCD22376711
2046-21-1 | Methyl 6-oxoheptanoate
Pack Size： 250mg
Purity： 98%
in stock
$19.00 $14.00
Pack Size： 1g
Purity： 98%
in stock
$33.00 $23.00
Pack Size： 25g
Purity： 98%
in stock
$802.00 $561.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0029IU
Chemical Name: Methyl 6-oxoheptanoate
CAS Number: 2046-21-1
Molecular Formula: C8H14O3
Molecular Weight: 158.1950
MDL Number: MFCD22376711
SMILES: COC(=O)CCCCC(=O)C
NSC Number: 148317
Properties
Complexity: 140  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Upstream Synthesis Route
67-56-1    3128-07-2    2046-21-1 

[1]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[2]BioorganicandMedicinalChemistryLetters,2002,vol.12,#17,p.2463-2465

[3]Journalofmedicinalchemistry,2004,vol.47,#20,p.4829-4837

[4]Patent:US2009/318475,2009,A1,.Locationinpatent:Page/Pagecolumn29

[5]Patent:WO2017/152032,2017,A1,.Locationinpatent:Page/Pagecolumn00499

[6]Patent:US2018/244648,2018,A1,.Locationinpatent:Paragraph0333;0334

[7]Patent:WO2018/160522,2018,A1,.Locationinpatent:Page/Pagecolumn54

[8]LiebigsAnnalenderChemie,1983,#7,p.1237-1248

[9]JournaloftheChemicalSociety,1956,p.4232,4234

[10]JournaloftheAmericanChemicalSociety,1957,vol.79,p.5027

[11]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

[12]JournalofMedicinalChemistry,1999,vol.42,#14,p.2527-2534

[13]Patent:WO2010/143158,2010,A1,.Locationinpatent:Page/Pagecolumn60

[14]Patent:US2012/115916,2012,A1,.Locationinpatent:Page/Pagecolumn24

[15]Patent:US2016/199520,2016,A1,.Locationinpatent:Paragraph0336;0337

[16]Patent:US2018/8583,2018,A1,.Locationinpatent:Paragraph0447;0448;0449

[17]Patent:WO2018/49068,2018,A1,.Locationinpatent:Paragraph0346

[18]Patent:JP2016/183151,2016,A,.Locationinpatent:Paragraph0376-0378

3128-07-2    74-88-4    2046-21-1 

[1]Patent:US2015/119454,2015,A1,.Locationinpatent:Paragraph0105

67-56-1    583-60-8    2046-21-1 

[1]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[2]JournalofOrganicChemistry,1983,vol.48,#7,p.1133-1135

[3]BulletinoftheChemicalSocietyofJapan,1999,vol.72,#11,p.2515-2521

[4]JournalofChemicalResearch-PartS,1999,#2,p.122-123

3128-07-2    2046-21-1 

[1]Patent:US2002/40030,2002,A1,

[2]Patent:US6410526,2002,B1,

[3]Patent:US2004/38963,2004,A1,

3128-07-2    70-25-7    2046-21-1 

[1]Patent:WO2016/154369,2016,A1,.Locationinpatent:Page/Pagecolumn46

Downstream Synthesis Route
67-56-1    3128-07-2    2046-21-1 

[1]JournalofOrganicChemistry,1983,vol.48,p.1133-1135

[2]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.2463-2465

[3]Journalofmedicinalchemistry,2004,vol.47,p.4829-4837

[4]Patent:US2009/318475,2009,A1.Locationinpatent:Page/Pagecolumn29

[5]Patent:WO2017/152032,2017,A1.Locationinpatent:Page/Pagecolumn00499

[6]Patent:US2018/244648,2018,A1.Locationinpatent:Paragraph0333;0334

[7]Patent:WO2018/160522,2018,A1.Locationinpatent:Page/Pagecolumn54

[8]LiebigsAnnalenderChemie,1983,p.1237-1248

[9]JournaloftheChemicalSociety,1956,p.4232,4234

[10]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

[11]JournalofMedicinalChemistry,1999,vol.42,p.2527-2534

[12]Patent:WO2010/143158,2010,A1.Locationinpatent:Page/Pagecolumn60

[13]Patent:US2012/115916,2012,A1.Locationinpatent:Page/Pagecolumn24

[14]Patent:US2016/199520,2016,A1.Locationinpatent:Paragraph0336;0337

[15]Patent:US2018/8583,2018,A1.Locationinpatent:Paragraph0447;0448;0449

[16]Patent:WO2018/49068,2018,A1.Locationinpatent:Paragraph0346

[17]Patent:JP2016/183151,2016,A.Locationinpatent:Paragraph0376-0378

576-26-1    2046-21-1    102590-03-4 

[1]JournalofOrganicChemistry,1958,vol.23,p.1004

2046-21-1    103028-26-8 

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

2046-21-1   
5-5-(3-methoxycarbonyl-propyl)-2,4-dimethyl-2,5-dihydro-thiazol-2-yl-valericacidmethylester 

[1]JustusLiebigsAnnalenderChemie,1958,vol.615,p.84,90

2046-21-1    372-09-8    99189-13-6 

[1]JournaloftheAmericanChemicalSociety,1957,vol.79,p.5027

Literature fold

Title: Synthesis of peptidomimetics, δ- and ε-lactam tetrazoles.

Journal: Molecular diversity20120801

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