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Safety Information

708569

Sigma-Aldrich

(S)-5-Benzyl-2-mesityl-6,6-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C23H28BF4N3O
CAS Number:
925706-40-7
Molecular Weight:
449.29
MDL number:
MFCD16621403
UNSPSC Code:
12352005
PubChem Substance ID:
329762808
NACRES:
NA.22

form

solid

Quality Level

100

mp

200-206 °C

functional group

ether
phenyl

SMILES string

F[B-](F)(F)F.CC1=C(C(C)=CC(C)=C1)[N+]2=CN3C(COC(C)(C)[C@@H]3CC4=CC=CC=C4)=N2

InChI

1S/C23H28N3O.BF4/c1-16-11-17(2)22(18(3)12-16)26-15-25-20(13-19-9-7-6-8-10-19)23(4,5)27-14-21(25)24-26;2-1(3,4)5/h6-12,15,20H,13-14H2,1-5H3;/q+1;-1/t20-;/m0./s1

InChI key

PVYSZYZMWZCJCT-BDQAORGHSA-N

Related Categories

Application

Catalyst for:
  • Intermolecular conjugate addition of alcohols to unsaturated ketones and esters
  • Preparation of β-amino carbonyl compounds by N-heterocyclic carbene-catalyzed enantioselective Mannich reactions of a-aryloxyacetaldehydes with imines
  • Asymmetric synthesis of cyclopentenes from allyl diketones by carbene-catalyzed intramolecular aldol reaction, lactonization, and carbon dioxide expulsion
  • Preparation of esters via tandem oxidation of allylic/benzylic/propargyl alcohols or aldehyde

Hazard Statements

H413

Precautionary Statements

P273 - P501

Hazard Classifications

Aquatic Chronic 4

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

708569-BULK:
708569-100MG:4548173302508
708569-500MG:4548173302515
708569-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP0704V
MKBB9939V
MKBB9939

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