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About This Item
Linear Formula:
(CH3O)2C6H3NCO
CAS Number:
Molecular Weight:
179.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
form
liquid
bp
140 °C/11 mmHg (lit.)
mp
30 °C (lit.)
functional group
isocyanate
SMILES string
COc1ccc(N=C=O)c(OC)c1
InChI
1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3
InChI key
WRAZHLRMDRTLOZ-UHFFFAOYSA-N
Application
2,4-Dimethoxyphenyl isocyanate has been used in the preparation of pyrrolo[3,2-d]pyrimidines.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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Frederik J R Rombouts et al.
Journal of combinatorial chemistry, 7(4), 589-598 (2005-07-12)
The first solid-phase methodology for the preparation of pyrrolo[3,2-d]pyrimidines is presented. Merrifield resin bearing a cysteamine "traceless" linker was treated with 4-oxo-N-(PhF)proline benzyl ester (10; PhF = 9-(9-phenylfluorenyl)) to provide resin-bound aminopyrrole 20, which was treated with ethyl, phenyl, 4-phenoxyphenyl
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