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29799-07-3,MFCD00168143
Catalog No.:AA00I5FT

29799-07-3 | 4-(1-Adamantyl)phenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$19.00   $14.00
- +
5g
97%
in stock  
$24.00   $17.00
- +
10g
97%
in stock  
$46.00   $32.00
- +
25g
97%
in stock  
$74.00   $52.00
- +
  • 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:
AA00I5FT
Chemical Name:
4-(1-Adamantyl)phenol
CAS Number:
29799-07-3
Molecular Formula:
C16H20O
Molecular Weight:
228.3294
MDL Number:
MFCD00168143
SMILES:
Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NSC Number:
111653
Properties
Properties
 
BP:
361.6°C at 760 mmHg  
Form:
Solid  
MP:
181-183 °C(lit.);  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
5.2  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[2]BulletinoftheKoreanChemicalSociety,2010,vol.31,#12,p.3826-3829

[3]BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7456-7460

[4]BioorganicandMedicinalChemistryLetters,2013,vol.23,#11,p.3154-3156

[5]JournalofOrganometallicChemistry,2013,vol.747,p.189-194

[6]JournalofMedicinalChemistry,2017,vol.60,#20,p.8631-8646

[1]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[2]JournalofOrganometallicChemistry,2013,vol.747,p.189-194

[3]JournalofMedicinalChemistry,2017,vol.60,#20,p.8631-8646

Downstream Synthesis Route

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

[1]Patent:KR2015/88205,2015,A.Locationinpatent:Paragraph0151;0156;0157

[2]HelveticaChimicaActa,1978,vol.61,p.1588-1608

[1]JournaloftheChemicalSociety.PerkintransactionsII,1979,p.1011-1019

[1]JournaloftheChemicalSociety.PerkintransactionsII,1979,p.1011-1019

[1]Patent:US2019/16666,2019,A1.Locationinpatent:Paragraph0077;0078

[2]Actapoloniaepharmaceutica,1994,vol.51,p.51-54

[3]SyntheticCommunications,1996,vol.26,p.3885-3895

[4]GazzettaChimicaItaliana,1973,vol.103,p.71-77

Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Exploration of endocrine-disrupting chemicals on estrogen receptor alpha by the agonist/antagonist differential-docking screening (AADS) method: 4-(1-adamantyl)phenol as a potent endocrine disruptor candidate.

Journal: Toxicology letters 20091201

Title: Short-term effects of endocrine-disrupting chemicals on the expression of estrogen-responsive genes in male medaka (Oryzias latipes).

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20050430

Title: Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals.

Journal: Toxicology 20030201

Title: Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.

Journal: Journal of medicinal chemistry 20021205

Title: Interactions of synthetic estrogens with human estrogen receptors.

Journal: The Journal of endocrinology 20010701

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SDS
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