Benzyloxyacetaldehyde - CAS 60656-87-3

Catalog:	BB030765
Product Name:	Benzyloxyacetaldehyde
CAS:	60656-87-3
Synonyms:	2-phenylmethoxyacetaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-phenylmethoxyacetaldehyde
Description:	Acceptor; engineering of 2-deoxyribose 5-phosphate aldolase variants for enzymic preparation of β-ketols.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	C1=CC=C(C=C1)COCC=O
InChI:	InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
InChI Key:	NFNOAHXEQXMCGT-UHFFFAOYSA-N
Boiling Point:	118-120 °C / 13 mmHg (lit.)
Density:	1.069 g/mL at 25 °C (lit.)
Appearance:	Clear colorless oil
MDL:	MFCD00191779
LogP:	1.40210

Publication Number	Title	Priority Date
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219
WO-2021124172-A1	3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20191218
WO-2021106988-A1	G9a INHIBITOR	20191127
US-2021122764-A1	Small Molecule Inhibitors of KRAS G12C Mutant	20191028
WO-2021086833-A1	Small molecule inhibitors of kras g12c mutant	20191028

PMID	Publication Date	Title	Journal
22971001	20121010	Catalysis through temporary intramolecularity: mechanistic investigations on aldehyde-catalyzed Cope-type hydroamination lead to the discovery of a more efficient tethering catalyst	Journal of the American Chemical Society
20479958	20100325	Generating a generation of proteasome inhibitors: from microbial fermentation to total synthesis of salinosporamide a (marizomib) and other salinosporamides	Marine drugs
19196163	20090306	Synthetic studies on (-)-lemonomycin: an efficient asymmetric synthesis of lemonomycinone amide	The Journal of organic chemistry
19222084	20090101	D-fructose-6-phosphate aldolase in organic synthesis: cascade chemical-enzymatic preparation of sugar-related polyhydroxylated compounds	Chemistry (Weinheim an der Bergstrasse, Germany)
18384024	20080101	Serine hydroxymethyl transferase from Streptococcus thermophilus and L-threonine aldolase from Escherichia coli as stereocomplementary biocatalysts for the synthesis of beta-hydroxy-alpha,omega-diamino acid derivatives	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1