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经验公式(希尔记法):
C8H7ClO
化学文摘社编号:
分子量:
154.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
InChI
1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
SMILES string
Clc1cccc(c1)[C@@H]2CO2
InChI key
YVMKRPGFBQGEBF-QMMMGPOBSA-N
optical activity
[α]20/D +19°, neat
refractive index
n20/D 1.551 (lit.)
bp
67-68 °C/1 mmHg (lit.)
density
1.214 g/mL at 25 °C (lit.)
functional group
chloro
ether
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Application
(R)-(+)-3-Chlorostyrene oxide may be used as an intermediate for the synthesis of 4-aminopiperidine based human β3-adrenergic receptor (AR) agonists.
Reactant involved in:
- Diastereoselective Wadsworth-Emmons cyclopropanation for synthesis of quaternaty cyclopropyl esters
- Synthesis of phenylethanolamine derivatives as β3-adrenergic receptor agonists
- Stereoselective ring-opening for synthesis of β-aryloxy-substituted alcohols and amines
- Synthesis of Biphenyl benzoic acid derivatives as β3-adrenergic receptor agonists
- Synthesis of (S)-2-, 3-, and 4-chlorostyrene oxides with epoxide hydrolase
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
206.6 °F - closed cup
flash_point_c
97 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
4-Aminopiperidine ureas as potent selective agonists of the human ? 3-Adrenergic receptor.
Ashwell MA, et al.
Bioorganic & Medicinal Chemistry Letters, 11(24), 3123-3127 (2001)
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