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Merck
CN

209252

5-Chloro-1,3-dimethoxybenzene

97%

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About This Item

Linear Formula:
ClC6H3(OCH3)2
CAS Number:
7051-16-3
Molecular Weight:
172.61
NACRES:
NA.22
PubChem Substance ID:
24852560
UNSPSC Code:
12352100
EC Number:
230-330-2
MDL number:
MFCD00008382
Assay:
97%

Key Documents

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Product Name

5-Chloro-1,3-dimethoxybenzene, 97%

InChI key

WQHNWJBSROXROL-UHFFFAOYSA-N

InChI

1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

SMILES string

COc1cc(Cl)cc(OC)c1

assay

97%

mp

34-36 °C (lit.)

functional group

chloro

Application

5-Chloro-1,3-dimethoxybenzene was used in the regioselective synthesis of TMC-264, tricyclic structure having chloro-1H-dibenzo[b,d]pyran-4,6-dione skeleton.

General description

5-Chloro-1,3-dimethoxybenzene participates in Suzuki-Miyaura cross-coupling reactions of aryl- and heteroaryl chlorides with potassium cyclobutyltrifluoroborate.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

233.6 °F - closed cup

flash_point_c

112 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBL0722
STBJ6906
STBJ5762
STBJ3394
STBH2488

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The first total synthesis and structural determination of TMC-264.
Tatsuta K, et al.
Tetrahedron Letters, 49(25), 4036-4039 (2008)
Gary A Molander et al.
The Journal of organic chemistry, 73(19), 7481-7485 (2008-09-02)
Suitable conditions were found for the Suzuki-Miyaura cross-coupling reaction of potassium cyclopropyl- and cyclobutyltrifluoroborates with aryl chlorides. Both of these secondary alkyl trifluoroborates coupled in moderate to excellent yield with electron-rich, electron-poor, and hindered aryl chlorides to give a variety

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