461776
1-Chloro-4-phenylbutane
97%
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About This Item
Linear Formula:
C6H5(CH2)4Cl
CAS Number:
Molecular Weight:
168.66
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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.)
SMILES string
ClCCCCc1ccccc1
InChI
1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI key
FLLZCZIHURYEQP-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
219.2 °F - closed cup
Flash Point(C)
104 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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