461776
1-Chloro-4-phenylbutane
97%
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About This Item
Linear Formula:
C6H5(CH2)4Cl
CAS Number:
Molecular Weight:
168.66
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
225-408-8
MDL number:
InChI key
FLLZCZIHURYEQP-UHFFFAOYSA-N
InChI
1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
SMILES string
ClCCCCc1ccccc1
assay
97%
refractive index
n20/D 1.518 (lit.)
bp
98-102 °C/6 mmHg (lit.)
density
1.026 g/mL at 25 °C (lit.)
General description
1-Chloro-4-phenylbutane can be synthesized by reacting 4-phenylbutan-1-ol with POCl3 and pyridine.
Application
1-Chloro-4-phenylbutane may be used for the synthesis of 4-(2,4-dinitrophenyl)butan-1-amine. It was used in the synthesis of 1-phenylbutyl-4-phenylpiperidine-4-carbonitrile oxalate.
It may be used in the preparation of tetralin via cyclialkylation with aluminum chloride and ferric chloride.
It may be used in the preparation of tetralin via cyclialkylation with aluminum chloride and ferric chloride.
signalword
Warning
hcodes
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
219.2 °F - closed cup
flash_point_c
104 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Identification of dinitrotoluene selective peptides by phage display cloning.
Jang H-J, et al.
Bull. Korean Chem. Soc., 31(12), 3703-3706 (2010)
Susan L Mercer et al.
European journal of medicinal chemistry, 43(6), 1304-1308 (2007-11-09)
A series of N-substituted-4-cyano-4-phenylpiperidine analogs were synthesized and evaluated for binding affinity at opioid receptors and showed no affinity. The series similarity to previously reported sigma ligands prompted analysis at sigma receptors to determine the SAR for affinity at sigma
New Friedel-Crafts Chemistry. XVI. 1 A Reconsideration of Cyclialkylation and Competing Reactions of Certain Phenylalkyl, Benzoylalkyl and Acetylphenylalkyl Chlorides.
Khalaf AA and Roberts RM.
The Journal of Organic Chemistry, 31(1), 89-95 (1966)
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