2,4,6-Triisopropylbenzenesulfonyl chloride - CAS 6553-96-4

Name: 2,4,6-Triisopropylbenzenesulfonyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032763
Product Name:	2,4,6-Triisopropylbenzenesulfonyl chloride
CAS:	6553-96-4
Synonyms:	TPSCL; 2,4,6-Tris(isopropyl)benzenesulfonyl Chloride; 2,4,6-Triisopropylbenzene-1-sulfonyl Chloride; NSC 102803; Tripsyl Chloride

Technical Data

IUPAC Name:	2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
Description:	2,4,6-Triisopropylbenzenesulfonyl Chloride, is a building block used for the synthesis of various pharmaceutical compounds, such as derivatives of Valproic Acid. It can also be used for the synthesis of glycerophospholipids as a condensing agent.
Molecular Weight:	302.86
Molecular Formula:	C15H23ClO2S
Canonical SMILES:	CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
InChI:	InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChI Key:	JAPYIBBSTJFDAK-UHFFFAOYSA-N
Boiling Point:	349.3 °C at 760 mmHg
Melting Point:	92-94 °C
Purity:	> 95 % (T)
Density:	1.096 g/cm³
Solubility:	Soluble in Ethanol (50 mg/mL, clear), Chloroform
Appearance:	White to cream solid
Storage:	2-8 °C under inert atmosphere
MDL:	MFCD00007433
LogP:	6.06510

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22283398	20120504	Total synthesis of a cyclic adenosine 5'-diphosphate ribose receptor agonist	The Journal of organic chemistry
22273279	20120316	2'-Azido RNA, a versatile tool for chemical biology: synthesis, X-ray structure, siRNA applications, click labeling	ACS chemical biology
20817140	20101013	Homo-C-nucleoside analogs III. Studies on the base-catalyzed dehydrative cyclization of 4-(d-manno-pentitol-1-yl)-2-phenyl-2H-1,2,3-triazole	Carbohydrate research
20393709	20100601	Enatiomerically pure hydroxycarboxylic acids: current approaches and future perspectives	Applied microbiology and biotechnology
15069664	20040515	Studies on the dehydrative cyclization of epimeric 4-(L-xylo and L-lyxo-tetritol-1-yl)-2-phenyl-2H-1,2,3-triazoles. Circular dichroism and NMR assignment of the formed anomeric C-nucleoside L-threofuranosyl triazole analogs	Chirality

Complexity:	363
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.1107288
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.1107288
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.3