Adamantane-1-carbaldehyde - CAS 2094-74-8

Catalog:	BB016450
Product Name:	Adamantane-1-carbaldehyde
CAS:	2094-74-8
Synonyms:	1-adamantanecarboxaldehyde; adamantane-1-carbaldehyde

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	adamantane-1-carbaldehyde
Description:	Adamantane-1-carbaldehyde (CAS# 2094-74-8) is an intermediate used to prepare 2-adamantyl-substituted thiazolidin-4-ones with anti-HIV activities. It is also used to synthesize Saxagliptin (S143500).
Molecular Weight:	164.24
Molecular Formula:	C11H16O
Canonical SMILES:	C1C2CC3CC1CC(C2)(C3)C=O
InChI:	InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2
InChI Key:	DZULQZKFBAHSRX-UHFFFAOYSA-N
Boiling Point:	239 °C
Density:	1.166 g/cm³
LogP:	2.40170

Publication Number	Title	Priority Date
CN-112679369-A	Preparation method of (S) -2- (adamantane-1-yl) -2-glycine hydrochloride	20201229
CN-111892478-A	Synthetic method of saxagliptin intermediate	20200908
WO-2021170021-A1	Glutarimide skeleton-based compounds and application thereof	20200225
CN-111018922-A	Chiral sulfinamide monophosphine ligand based on ferrocene skeleton and preparation method of full configuration thereof	20191231
WO-2021113808-A1	Cftr-modulating arylamides	20191205

PMID	Publication Date	Title	Journal
23050841	20121102	Asymmetric direct α-hydroxylation of β-oxo esters catalyzed by chiral quaternary ammonium salts derived from cinchona alkaloids	The Journal of organic chemistry
22359329	20120201	Identification and structural characterization of the synthetic cannabinoid 3-(1-adamantoyl)-1-pentylindole as an additive in 'herbal incense'	Journal of mass spectrometry : JMS
21741656	20110812	Steric effects on the enantiodiscrimination of diproline chiral stationary phases in the resolution of racemic compounds	Journal of chromatography. A
21179412	20101217	Α-galactosylceramide analogs with weak agonist activity for human iNKT cells define new candidate anti-inflammatory agents	PloS one
20521283	20100712	Selective monoacylation of ferrocene with bulky acylating agents over mesoporous sieve AlKIT-5	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.12011513
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.12011513
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3