4830-93-7

Basic information

• Product Name: 1-CHLORO-4-PHENYLBUTANE
• Synonyms: (4-CHLOROBUTYL)BENZENE;4-PHENYLBUTYL CHLORIDE;4-PHENYL-N-BUTYLCHLORIDE;1-CHLORO-4-PHENYLBUTANE;Benzene, (4-chlorobutyl)-;1-Chloro-4-phenylbutane, 95+%;1-CHLORO-4-TERT-BUTYL BENZENE;1-Chloro-4-phenylbutane,97%
• CAS NO: 4830-93-7
• Molecular Formula: C₁₀H₁₃Cl
• Molecular Weight: 168.66
• EINECS: 225-408-8
• Product Categories: Aryl;C9 to C12;Halogenated Hydrocarbons;Building Blocks;C9 to C12;Chemical Synthesis;Halogenated Hydrocarbons;Organic Building Blocks
• Mol File: 4830-93-7.mol
• Article Data: 23

Chemical Properties

• Melting Point: 36°C (estimate)
• Boiling Point: 125-128 °C (20 mmHg)
• Flash Point: 104 °C
• Appearance: clear colorless liquid
• Density: 1.026
• Vapor Pressure: 0.0396mmHg at 25°C
• Refractive Index: 1.517-1.519
• BRN: 2042123
• CAS DataBase Reference: 1-CHLORO-4-PHENYLBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-4-PHENYLBUTANE(4830-93-7)
• EPA Substance Registry System: 1-CHLORO-4-PHENYLBUTANE(4830-93-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26
• WGK Germany: 3
• Hazardous Substances Data: 4830-93-7(Hazardous Substances Data)

Usage

Description

1-Chloro-4-phenylbutane, also known as 4-phenylbutyl chloride, is an organic compound with the molecular formula C10H11Cl. It is a clear colorless liquid that can be synthesized by reacting 4-phenylbutan-1-ol with POCl3 and pyridine. 1-CHLORO-4-PHENYLBUTANE serves as a valuable intermediate in the synthesis of various organic compounds and has applications in different industries.

Uses

1. Used in Pharmaceutical Industry:
1-Chloro-4-phenylbutane is used as a synthetic intermediate for the production of 4-(2,4-dinitrophenyl)butan-1-amine, which is an important compound in the pharmaceutical industry. It plays a crucial role in the development of new drugs and therapeutic agents.
2. Used in Chemical Research:
1-CHLORO-4-PHENYLBUTANE is used as a starting material in the synthesis of various organic compounds, such as 1-phenylbutyl-4-phenylpiperidine-4-carbonitrile oxalate. It is valuable for researchers in the field of organic chemistry, as it allows for the exploration of new chemical reactions and the development of novel compounds.
3. Used in Preparation of Tetralin:
1-Chloro-4-phenylbutane may be used in the preparation of tetralin, an aromatic hydrocarbon, through cyclialkylation with aluminum chloride and ferric chloride. Tetralin is an important compound in the chemical industry, with applications in the production of dyes, plastics, and pharmaceuticals.
4. Used in Organic Synthesis:
As a versatile synthetic intermediate, 1-chloro-4-phenylbutane is employed in various organic synthesis processes. Its reactivity and functional group compatibility make it a valuable building block for the creation of complex organic molecules, which can be utilized in a wide range of applications across different industries.

InChI:InChI=1/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Upstream product

• 3360-41-6 4-phenyl-butan-1-ol 
• 93406-12-3 N-benzoyl-4-phenylbutylamine 
• 632-02-0 3-chloropropyl p-toluenesulfonate 
• 6921-34-2 benzylmagnesium chloride 
• 74-85-1 ethene 
• 100-34-5 benzene diazonium chloride 
• 110-56-5 1,4-dichlorobutane 
• 71-43-2 benzene 
• 84648-68-0 C₁₃H₁₆O₄ 
• 84648-49-7 C₁₈H₁₇ClO₄ 
• 60-29-7 diethyl ether 
• 104-51-8 1-butylbenzene 
• 10297-05-9 1-chloro 4-iodobutane 
• 2046-17-5 methyl 3-(benzyl)propanoate 

Downstream Products

• 78573-23-6 rac-2-(phenylbutyl)propanedioic acid diethyl ester 
• 358349-92-5 (4-phenoxybutyl)benzene 
• 920283-13-2 1-(4-Chlorbutyl)-4-(chlormethyl)benzen 
• 102019-71-6 cyclopropyl-(4-phenyl-butyl)-carbamic acid-(3-dimethylamino-propyl ester) 
• 34059-12-6 N-ethyl-4-phenylbutylamine 
• 4831-03-2 1-Chloro-4-(4-acetylphenyl)butane 
• 64283-87-0 4-phenyl-1-iodobutane 
• 38091-60-0 1-(4-chloro-butyl)-4-nitro-benzene 
• 103754-16-1 4-Chlor-1-<2-nitro-phenyl>-butan 
• 36748-54-6 1,5-diphenyl-pentan-1-ol 
• 24228-42-0 1-(4-Phenyl-butyl)-piperidine-4-carboxylic acid ethyl ester 
• 135257-07-7 4-[Bis-(4-fluoro-phenyl)-methyl]-1-(4-phenyl-butyl)-piperidine 
• 138631-24-0 2-(4-phenylbutyl)-5-(4-hydroxyphenyl)-2H-tetrazole 
• 117023-06-0 Bis-(4-fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol 

Relevant articles and documents

Nucleophilic substitution reactions of unbranched alkyl amines using triazine reagents

Since amines are present in many organic, biological, and drug molecules, a strategy of synthesizing desired compounds by nucleophilic substitution reactions of these amines is very attractive. By using triazine reagents, we have found that nucleophilic substitution reactions of unbranched alkyl amines via morpholine derivatives are feasible. This method can be performed under milder reaction conditions than those in previously reported methods.

Chemoselective Homologation-Deoxygenation Strategy Enabling the Direct Conversion of Carbonyls into (n+1)-Halomethyl-Alkanes

The sequential installation of a carbenoid and a hydride into a carbonyl, furnishing halomethyl alkyl derivatives, is reported. Despite the employment of carbenoids as nucleophiles in reactions with carbon-centered electrophiles, sp3-type alkyl halides remain elusive materials for selective one-carbon homologations. Our tactic levers on using carbonyls as starting materials and enables uniformly high yields and chemocontrol. The tactic is flexible and is not limited to carbenoids. Also, diverse carbanion-like species can act as nucleophiles, thus making it of general applicability.

Organocatalytic Chlorination of Alcohols by P(III)/P(V) Redox Cycling

A catalytic system for the chlorination of alcohols under Appel conditions was developed. Benzotrichloride is used as a cheap and readily available chlorinating agent in combination with trioctylphosphane as the catalyst and phenylsilane as the terminal reductant. The reaction has several advantages over other variants of the Appel reaction, e.g., no additional solvent is required and the phosphane reagent is used only in catalytic amounts. In total, 27 different primary, secondary, and tertiary alkyl chlorides were synthesized in yields up to 95%. Under optimized conditions, it was also possible to convert epoxides and an oxetane to the dichlorinated products.