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Merck
CN

901627

Pym-DATB Catalyst

powder or crystals

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About This Item

Empirical Formula (Hill Notation):
C32H20B4N6O3
CAS Number:
2284459-08-9
Molecular Weight:
579.78
UNSPSC Code:
12161600
NACRES:
NA.22

Key Documents

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Product Name

Pym-DATB Catalyst,

SMILES string

B21N3B(OB(O2)c7c(cccc7)c8ncnc9c8NB(c%10c9cccc%10)O)c4c(cccc4)c5ncnc(c53)c6c1cccc6

InChI

1S/C32H20B4N6O3/c43-33-23-13-5-1-9-19(23)27-31(41-33)28(38-17-37-27)22-12-4-8-16-26(22)36-44-34-24-14-6-2-10-20(24)29-32-30(40-18-39-29)21-11-3-7-15-25(21)35(45-36)42(32)34/h1-18,41,43H

InChI key

UJSSLUDYAHIVLK-UHFFFAOYSA-N

form

powder or crystals

reaction suitability

core: boron
reagent type: catalyst

Quality Level

200

Application

Pym-DATB catalyst is a bench-stable pyrimidine derivative of the B3NO2 six-membered heterocycle 1,3-dioxa-5-aza-2,4,6-triborinane (DATB). Researchers demonstrated Pym-DATB to be an efficient catalyst for dehydrative direct amidation of carboxylic acids and amines to produce a diverse amide products.


Other Notes

All Non-Carbon B3NO2 Exotic Heterocycle: Synthesis, Dynamics, and Catalysis

Unique Physicochemical and Catalytic Properties Dictated by the B3NO2 Ring System

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCH7909

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Christopher R Opie et al.
Chemistry (Weinheim an der Bergstrasse, Germany) (2019-02-17)
The B3 NO2 six-membered heterocycle (1,3-dioxa-5-aza-2,4,6-triborinane=DATB), comprising three different non-carbon period 2 elements, has been recently demonstrated to be a powerful catalyst for dehydrative condensation of carboxylic acids and amines. The tedious synthesis of DATB, however, has significantly diminished its utility

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