3-(3-Chlorophenyl)-1-propene

Base Information

• Chemical Name: 3-(3-Chlorophenyl)-1-propene
• CAS No.: 3840-17-3
• Molecular Formula: C9H9Cl
• Molecular Weight: 152.623
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30374049
• Nikkaji Number: J1.872.382D
• Wikidata: Q82162511
• Mol file: 3840-17-3.mol

Synonyms:3-(3-Chlorophenyl)-1-propene;3840-17-3;1-allyl-3-chlorobenzene;1-chloro-3-prop-2-enylbenzene;MFCD01319545;1-Chloro-3-(prop-2-en-1-yl)benzene;3-(allyl)chlorobenzene;3-(2-Propenyl)chlorbenzol;SCHEMBL771274;DTXSID30374049;AKOS006344196;FS-4781;CS-0267255;EN300-698349

Chemical Property of 3-(3-Chlorophenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.602mmHg at 25°C
• Boiling Point: 69oC 5mm
• Flash Point: 71.3oC
• PSA: 0.00000
• Density: 1.046g/cm3
• LogP: 3.06850
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 152.0392780
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

3-Allylchlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC(=CC=C1)Cl

Technology Process of 3-(3-Chlorophenyl)-1-propene

There total 10 articles about 3-(3-Chlorophenyl)-1-propene 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: 58.0%

1-bromo-3-chlorobenzene (108-37-2) + Allyl acetate (591-87-7) → 1-allyl-3-chlorobenzene (3840-17-3)

Guidance literature:

With pyridine; tetrabutyl ammonium fluoride; cobalt(II) bromide; at 50 ℃; Electrolysis;

DOI:10.1021/jo026421b

Reference yield: 54.0%

1-bromo-3-chlorobenzene (108-37-2) + Allyl acetate (591-87-7) → 1-allyl-3-chlorobenzene (3840-17-3) + PCB 11 (2050-67-1) + chlorobenzene (108-90-7)

Guidance literature:

With bromobenzene; zinc dibromide; zinc; acetic acid; cobalt(II) bromide; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1021/ol0340641

Reference yield: 51.0%

1-bromo-3-chlorobenzene (108-37-2) + allyl bromide (106-95-6) → 1-allyl-3-chlorobenzene (3840-17-3)

Guidance literature:

1-bromo-3-chlorobenzene; With TurboGrignard; n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; at -10 ℃; for 2h; Inert atmosphere;

allyl bromide; In tetrahydrofuran; diethyl ether; hexane; at -10 - 20 ℃; for 15h; Inert atmosphere;

DOI:10.1039/d0ob02007a

upstream raw materials:

1-bromo-3-chlorobenzene

allyl bromide

(3-chlorophenyl)magnesium bromide

1,3-Dichlorobenzene

Downstream raw materials:

2-(3-Allyl-phenyl)-propan-2-ol

(E)-1-chloro-2-(prop-1-en-1-yl)benzene

2-(3-chlorobenzyl)oxirane

Refernces

• 1、 Akram, Manjur O.,Mali, Pramod S.,Patil, Nitin T.. "Cross-Coupling Reactions of Aryldiazonium Salts with Allylsilanes under Merged Gold/Visible-Light Photoredox Catalysis". supporting information. p. 3075 - 3078. Retrieved 2017/06/23.
• 2、 Matsubara, Ryosuke,Gutierrez, Alicia C.,Jamison, Timothy F.. "Nickel-catalyzed heck-type reactions of benzyl chlorides and simple olefins". supporting information; experimental part. p. 19020 - 19023. Retrieved 2011/12/21.