(3-Chloropropyl)benzene

Base Information

• Chemical Name: (3-Chloropropyl)benzene
• CAS No.: 104-52-9
• Molecular Formula: C9H11Cl
• Molecular Weight: 154.639
• Hs Code.: 29036990
• European Community (EC) Number: 203-210-2
• NSC Number: 16939
• UNII: E2L2KN77K8
• DSSTox Substance ID: DTXSID10146206
• Nikkaji Number: J100.166C
• Wikidata: Q27462696
• ChEMBL ID: CHEMBL1234093
• Mol file: 104-52-9.mol

Synonyms:1-Chloro-3-phenylpropane;(3-CHLOROPROPYL)BENZENE;104-52-9;3-Phenylpropyl chloride;3-chloropropylbenzene;Benzene, (3-chloropropyl)-;3-Chloro-1-phenylpropane;3-Phenyl-1-chloropropane;.gamma.-Chloropropylbenzene;Benzene, (chloropropyl)-;.gamma.-Phenylpropyl chloride;(3-chloro-propyl)-benzene;E2L2KN77K8;EINECS 203-210-2;MFCD00001001;NSC 16939;NSC-16939;AI3-23863;3-Phenylpropylchloride;(3-chlorpropyl)benzen;3-(phenyl)propyl chloride;UNII-E2L2KN77K8;SCHEMBL432616;CHEMBL1234093;XZBXAYCCBFTQHH-UHFFFAOYSA-;DTXSID10146206;1-Chloro-3-phenylpropane, 99%;1-(3-CHLOROPHENYL)PROPANE;NSC16939;STL268874;AKOS000121307;CS-W016261;GS-3136;SY048978;FT-0616350;P1262;EN300-21262;S12344;ALVERINE CITRATE IMPURITY A [EP IMPURITY];W-109386;Q27462696;F0001-0090;LT1

Chemical Property of (3-Chloropropyl)benzene

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: -27 °C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 220.2 °C at 760 mmHg
• Flash Point: 87.2 °C
• PSA: 0.00000
• Density: 1.029 g/cm³
• LogP: 2.85800
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-3-phenylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 23-28-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCl

Technology Process of (3-Chloropropyl)benzene

There total 65 articles about (3-Chloropropyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-Phenyl-1-propanol (122-97-4) → phenylpropyl chloride (104-52-9)

Guidance literature:

3-Phenyl-1-propanol; With diisopropyl-carbodiimide; copper(l) chloride; In tetrahydrofuran; at 100 ℃; for 0.0833333h; microwave irradiation;

With acetyl chloride; In tetrahydrofuran; at 150 ℃; for 0.0833333h; Further stages.; microwave irradiation;

DOI:10.1039/b211424k

Reference yield: 98.0%

1-iodo-3-phenylpropan (4119-41-9) → phenylpropyl chloride (104-52-9)

Guidance literature:

With tetrabutyl-ammonium chloride; at 20 - 60 ℃; for 5h;

DOI:10.1021/jo401529j

Reference yield: 95.0%

3-chloro-1-phenyl-propan-1-ol (18776-12-0,125712-82-5) → phenylpropyl chloride (104-52-9)

Guidance literature:

With indium(III) chloride; diphenylsilyl chloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo0158534

upstream raw materials:

3-chloropropyl p-toluenesulfonate

diethyl ether

sulfuric acid bis-(2-chloroethyl) ester

3-Phenyl-1-propanol

Downstream raw materials:

alverine

1-(ethylamino)-3-phenylpropane

2-(3-phenylpropoxy)ethanol

3-(3-Phenyl-propoxy)-pyridin-2-ylamine

Refernces

• 1、 Moriya, Toshimitsu,Yoneda, Shinichiro,Kawana, Keita,Ikeda, Reiko,Konakahara, Takeo,Sakai, Norio. "Indium(III)-catalyzed reductive bromination and iodination of carboxylic acids to alkyl bromides and iodides: Scope, mechanism, and one-pot transformation to alkyl halides and amine derivatives". . p. 10642 - 10650. Retrieved 2013.
• 2、 Gao,Wang,Lin,Liu,Sun,Zhu. "Synthesis, crystal structure, and fluorescence properties of a novel coordination polymer [Zn(L)(4,4'-bipyridine)(H2O)] n ·(H2O) 4". . p. 386 - 391. Retrieved 2012.
• 3、 André-Joyaux, Emy,Kuzovlev, Andrey,Renaud, Philippe,Tappin, Nicholas D. C.. "A General Approach to Deboronative Radical Chain Reactions with Pinacol Alkylboronic Esters". supporting information. p. 13859 - 13864. Retrieved 2020/06/10.
• 4、 -. "Preparation method of 3-phenylpropylamine". Page/Page column 4-6. . Retrieved 2019/10/08.