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D73103

Sigma-Aldrich

2,6-Dichloropurine

97%

Synonym(s):

2,6-Dichloro-1H-purine, 2,6-Dichloro-7H-purine, 2,6-Dichloro-9H-purin, 2,6-Dichloro-9H-purine

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About This Item

Empirical Formula (Hill Notation):
C5H2Cl2N4
CAS Number:
5451-40-1
Molecular Weight:
189.00
Beilstein:
9354
EC Number:
226-681-6
MDL number:
MFCD00077725
UNSPSC Code:
12352100
PubChem Substance ID:
24894122
NACRES:
NA.22

Quality Level

100

Assay

97%

form

powder

mp

185-195 °C (dec.) (lit.)

SMILES string

Clc1nc(Cl)c2nc[nH]c2n1

InChI

1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

InChI key

RMFWVOLULURGJI-UHFFFAOYSA-N

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Application

Suzuki-Miyaura cross-coupling between halopurines and arylboronic acids in water-acetonitrile.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis, 3515-3515 (2006)
M Eugenia García-Rubiño et al.
Acta crystallographica. Section C, Crystal structure communications, 67(Pt 12), o484-o486 (2011-12-06)
Two polymorphs of 2,6-dichloropurine, C(5)H(2)Cl(2)N(4), have been crystallized and identified as the 9H- and 7H-tautomers. Despite differences in the space group and number of symmetry-independent molecules, they exhibit similar hydrogen-bonding motifs. Both crystal structures are stabilized by intermolecular N-H···N interactions
Occupational contact sensitization to 2,6-dichloropurine.
R J Rycroft
Contact dermatitis, 7(6), 349-350 (1981-11-01)
Occupational contact sensitization to 2,6-dichloropurine.
R J Rycroft
Contact dermatitis, 7(3), 162-163 (1981-05-01)
T Maruyama et al.
Nucleosides, nucleotides & nucleic acids, 19(7), 1193-1203 (2000-09-22)
A general procedure to obtain tetra-substituted uric acid by stepwise N-alkylation is described. 2,6-Dichloropurine (1) was condensed with 1-propanol by Mitsunobu reaction to give 9-propyl congener (2). Treatment of 2 with ammonia gave adenine derivative (4a), which was converted to
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