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251887

Sigma-Aldrich

2,4-Dimethoxyphenyl isocyanate

97%

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About This Item

Linear Formula:
(CH3O)2C6H3NCO
CAS Number:
84370-87-6
Molecular Weight:
179.17
EC Number:
282-747-4
MDL number:
MFCD00002005
UNSPSC Code:
12352100
PubChem Substance ID:
24855164
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

bp

140 °C/11 mmHg (lit.)

mp

30 °C (lit.)

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

Related Categories

Application

2,4-Dimethoxyphenyl isocyanate has been used in the preparation of pyrrolo[3,2-d]pyrimidines.

Pictograms

Exclamation markHealth hazard
GHS07,GHS08

Signal Word

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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