4-Methylsulfonylbenzaldehyde - CAS 5398-77-6

Catalog:	BB028439
Product Name:	4-Methylsulfonylbenzaldehyde
CAS:	5398-77-6
Synonyms:	4-methylsulfonylbenzaldehyde; 4-methylsulfonylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-methylsulfonylbenzaldehyde
Description:	4-(Methylsulfonyl)benzaldehyde has been used in the preparation of arylidene-thiazolidinedione derivatives for the treatment of type 2 diabetes.
Molecular Weight:	184.21
Molecular Formula:	C8H8O3S
Canonical SMILES:	CS(=O)(=O)C1=CC=C(C=C1)C=O
InChI:	InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key:	PSVPUHBSBYJSMQ-UHFFFAOYSA-N
Boiling Point:	378.3 °C at 760 mmHg
Density:	1.289 g/cm³
MDL:	MFCD00216485
LogP:	1.98340

Publication Number	Title	Priority Date
CN-113322289-A	Process for preparing (2R,3S) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionic acid	20210804
CN-113322289-B	Process for preparing (2R,3S) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionic acid	20210804
CN-113248412-A	Preparation method of florfenicol	20210519
CN-113322248-A	High-temperature-resistant L-threonine aldolase and application thereof in synthesis of p-methylsulfonylphenylserine	20210512
CN-113149875-A	Method for preparing p-methylsulfonylbenzaldehyde by continuous flow	20210427

PMID	Publication Date	Title	Journal
21522951	20110108	rac-Ethyl 2-amino-3-hy-droxy-3-[4-(methyl-sulfon-yl)phen-yl]propano-ate	Acta crystallographica. Section E, Structure reports online
21578765	20091107	4-(Methyl-sulfon-yl)benzaldehyde	Acta crystallographica. Section E, Structure reports online
12535659	20030131	Novel drug designing approach for dual inhibitors as anti-inflammatory agents: implication of pyridine template	Biochemical and biophysical research communications

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Related Functional Groups

Carbonyl Compounds

[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
[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
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic 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:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.01941529
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.01941529
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1