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828-51-3,MFCD00074720
Catalog No.:AA003DU5

828-51-3 | 1-Adamantanecarboxylic acid

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5g
98%
in stock  
$11.00   $8.00
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25g
98%
in stock  
$17.00   $12.00
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100g
98%
in stock  
$45.00   $32.00
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500g
98%
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$75.00   $53.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DU5
Chemical Name:
1-Adamantanecarboxylic acid
CAS Number:
828-51-3
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00074720
SMILES:
OC(=O)C12CC3CC(C2)CC(C1)C3
NSC Number:
94182
Properties
Properties
 
BP:
304.7°C at 760 mmHg  
Form:
Solid  
MP:
172-174 °C(lit.)  
Refractive Index:
1.4910 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Upstream Synthesis Route

[1]TetrahedronLetters,1992,vol.33,#35,p.5013-5016

[2]TetrahedronLetters,1992,vol.33,#35,p.5013-5016

[3]TetrahedronLetters,1992,vol.33,#35,p.5013-5016

[1]TetrahedronLetters,1992,vol.33,#35,p.5013-5016

[1]Chemistry-AEuropeanJournal,2005,vol.11,#1,p.308-320

[1]Tetrahedron,2018,vol.74,#12,p.1207-1219

[2]Patent:WO2006/90244,2006,A1,.Locationinpatent:Page/Pagecolumn27-28

[3]ACSChemicalNeuroscience,2014,vol.5,#5,p.335-339

[4]Patent:US2014/275080,2014,A1,.Locationinpatent:Paragraph0372

[5]JournaloftheAmericanChemicalSociety,2018,vol.140,#5,p.1627-1631

[6]OrganicLetters,2018,vol.20,#19,p.6046-6050

[7]BioorganicandMedicinalChemistryLetters,2014,vol.24,#3,p.828-830

[8]Synlett,2015,vol.26,#16,p.2288-2292

[9]JournaloftheAmericanChemicalSociety,1985,vol.107,#20,p.5717-5722

[10]Synthesis,2001,#6,p.914-918

[11]Synthesis,2001,#6,p.914-918

[12]ChemicalCommunications,1998,#21,p.2297-2298

[13]PharmaceuticalChemistryJournal,1987,vol.21,#4,p.287-291

[14]Khimiko-FarmatsevticheskiiZhurnal,1987,vol.21,#4,p.454-458

[15]Chemistry-AEuropeanJournal,2016,vol.22,#15,p.5156-5159

[16]Chemistry-AEuropeanJournal,2016,vol.22,#39,p.14042-14047

[17]Molecules,2018,vol.23,#2,

[18]Patent:WO2008/106128,2008,A2,

[1]Synlett,2005,#13,p.2089-2091

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1975,vol.18,p.713-721

828-51-3    3236-48-4   
C30H44O4 

[1]JournalofMedicinalChemistry,1975,vol.18,p.713-721

[1]EuropeanJournalofOrganicChemistry,2015,vol.2015,p.6231-6236

[2]OrganicLetters,2016,vol.18,p.5608-5611

[3]OrganicLetters,2012,vol.14,p.840-843

[4]TetrahedronLetters,2012,vol.53,p.5059-5063

[5]AngewandteChemie-InternationalEdition,2019,vol.58,p.499-503    Angew.Chem.,2019,vol.131,p.509-513,5

[6]AngewandteChemie-InternationalEdition,2015,vol.54,p.4241-4245

[7]AdvancedSynthesisandCatalysis,2014,vol.356,p.308-312

[8]JournaloftheAmericanChemicalSociety,1974,vol.96,p.5290-5291

[9]CollectionofCzechoslovakChemicalCommunications,1974,vol.39,p.1083-1090

[10]JournalofOrganicChemistry,1974,vol.39,p.2728-2736

[11]JournalofMedicinalChemistry,1987,vol.30,p.1218-1224

[12]PharmaceuticalChemistryJournal,1992,vol.26,p.616-618    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.58-59

[13]CollectionofCzechoslovakChemicalCommunications,2006,vol.71,p.709-722

[14]JournalofMedicinalChemistry,2005,vol.48,p.5025-5037

[15]TetrahedronLetters,1998,vol.39,p.3319-3322

[16]SyntheticCommunications,1989,vol.19,p.387-392

[17]Journalofmedicinalchemistry,1967,vol.10,p.517-521

[18]Patent:WO2011/58582,2011,A1

[19]Patent:WO2012/162507,2012,A1

[20]SyntheticCommunications,2013,vol.43,p.1772-1777

[21]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.2532-2537

[22]Patent:WO2014/57495,2014,A1

[23]JournalofOrganicChemistry,2014,vol.79,p.11988-12003

[24]Patent:EP2272825,2015,B1

[25]Patent:JP2016/199513,2016,A.Locationinpatent:Paragraph0133;0137;0138

[26]Patent:CN104370769,2017,B.Locationinpatent:Paragraph0014;0015;0016

[27]OrganicandBiomolecularChemistry,2019,vol.17,p.8408-8416

[1]AsianJournalofChemistry,2013,vol.25,p.4119-4120

[2]SyntheticCommunications,1984,vol.14,p.113-120

[3]SoftMatter,2016,vol.12,p.6148-6156

1780-40-1    828-51-3   
4-Adamantan-1-yl-2,5,6-trichloro-pyrimidine 

[1]Heterocycles,1993,vol.36,p.1127-1138

Literature

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Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Huge dielectric response and molecular motions in paddle-wheel [Cu(II)2(adamantylcarboxylate)4(DMF)2]⋅(DMF)2.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20111216

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Title: β-Cyclodextrin as a photosensitizer carrier: effect on photophysical properties and chemical reactivity of squaraine dyes.

Journal: The journal of physical chemistry. B 20110602

Title: catena-Poly[[[bis-(3-hy-droxy-adamantane-1-carboxyl-ato-κO)(3-hy-droxy-adamantane-1-carb-oxy-lic acid-κO)zinc(II)]-μ(2)-4,4'-bipyridine] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Poly[[μ-aqua-bis-(μ-4,4'-bipyridine-κN:N')bis-(μ-3-hy-droxy-adamantane-1-carboxyl-ato-κO:O')bis-(3-hy-droxy-adamantane-1-carboxyl-ato-κO)dicobalt(II)] hepta-hydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 6-(1-Adamant-yl)-3-(2-chloro-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: (2SR,3RS)-Methyl 2-(adamantan-1-yl)-3-phenyl-sulfonyl-3-(pyridin-2-ylsulfan-yl)propano-ate dichloro-methane hemisolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

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Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: A new adamantanecarboxylate coordination polymer: poly[[(mu3-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate].

Journal: Acta crystallographica. Section C, Crystal structure communications 20100801

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Journal: Langmuir : the ACS journal of surfaces and colloids 20100302

Title: Quinolinotriazole-beta-cyclodextrin and its adamantanecarboxylic acid complex as efficient water-soluble fluorescent Cd(2+) sensors.

Journal: Bioorganic & medicinal chemistry 20100215

Title: Conjugates of desferrioxamine B (DFOB) with derivatives of adamantane or with orally available chelators as potential agents for treating iron overload.

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Title: Unexpected fluorescent behavior of a 4-amino-1,8-naphthalimide derived beta-cyclodextrin: conformation analysis and sensing properties.

Journal: Chemical communications (Cambridge, England) 20090721

Title: The dynamic side of the Hofmeister effect: a single-molecule nanopore study of specific complex formation.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20090713

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Journal: Inorganic chemistry 20080421

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Tags:828-51-3 Molecular Formula|828-51-3 MDL|828-51-3 SMILES|828-51-3 1-Adamantanecarboxylic acid |Organic_Building_Blocks