478547
2-甲氧基-5-甲基苯基异氰酸酯
98%
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关于此项目
线性分子式:
CH3OC6H3(CH3)NCO
化学文摘社编号:
分子量:
163.17
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
assay
98%
InChI
1S/C9H9NO2/c1-7-3-4-9(12-2)8(5-7)10-6-11/h3-5H,1-2H3
SMILES string
COc1ccc(C)cc1N=C=O
InChI key
IDOHLSFNBKNRRJ-UHFFFAOYSA-N
refractive index
n20/D 1.537 (lit.)
bp
240 °C (lit.)
mp
25-26 °C (lit.)
density
1.112 g/mL at 25 °C (lit.)
storage temp.
2-8°C
General description
2-Methoxy-5-methylphenyl isocyanate is an aryl isocyanate.
Application
2-Methoxy-5-methylphenyl isocyanate may be used in the synthesis of 9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl-2-methoxy-5-methylphenylcarbamate, a precursor to develop σ2 receptor ligands.
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
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Wenhua Chu et al.
Bioorganic & medicinal chemistry, 17(3), 1222-1231 (2009-01-03)
A series of N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl phenylcarbamate analogs were synthesized. Among them, WC-26 and WC-59 were identified as the most potent sigma(2) receptor ligands (K(i)=2.58 and 0.82 nM, respectively) with high selectivity against sigma(1) (K(i) of sigma(1)/sigma(2) ratio=557 and 2087, respectively).
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