1-(3-Bromopropyl)-2,4-dichlorobenzene

Base Information

• Chemical Name: 1-(3-Bromopropyl)-2,4-dichlorobenzene
• CAS No.: 93962-66-4
• Molecular Formula: C9H9 Br Cl2
• Molecular Weight: 267.98
• Hs Code.: 2903999090
• European Community (EC) Number: 300-704-0
• UNII: 8GKC4X5SP7
• DSSTox Substance ID: DTXSID70239946
• Nikkaji Number: J349.520E
• Wikidata: Q83122520
• Mol file: 93962-66-4.mol

Synonyms:1-(3-Bromopropyl)-2,4-dichlorobenzene;93962-66-4;EINECS 300-704-0;8GKC4X5SP7;C9H9BrCl2;UNII-8GKC4X5SP7;C9-H9-Br-Cl2;SCHEMBL11279910;DTXSID70239946;AKOS011896535;Benzene, 1-(3-bromopropyl)-2,4-dichloro-;CS-0299901;EN300-674717

Chemical Property of 1-(3-Bromopropyl)-2,4-dichlorobenzene

Chemical Property:

• Vapor Pressure: 0.00488mmHg at 25°C
• Boiling Point: 285.2°C at 760 mmHg
• Flash Point: 153.4°C
• PSA: 0.00000
• Density: 1.523g/cm³
• LogP: 4.32090
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 265.92647
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CCCBr

Technology Process of 1-(3-Bromopropyl)-2,4-dichlorobenzene

There total 5 articles about 1-(3-Bromopropyl)-2,4-dichlorobenzene 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: 85.0%

3-(2,4-dichlorophenyl)propan-1-ol (146882-07-7) → 1-(3-Bromo-propyl)-2,4-dichloro-benzene (93962-66-4)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2011.10.096

Reference yield:

2,4-dichlorocinnamic acid (20595-45-3,20595-46-4,1201-99-6) → 1-(3-Bromo-propyl)-2,4-dichloro-benzene (93962-66-4)

Guidance literature:

Multi-step reaction with 4 steps

1: diethyl ether; methanol

2: DIBAL-H / CH₂Cl₂ / 0.5 h / 0 °C

3: H₂ / PtO₂ / methanol / 2585.7 Torr

4: NBS, Ph₃P / CH₂Cl₂ / 0.42 h / 0 - 20 °C

With N-Bromosuccinimide; hydrogen; diisobutylaluminium hydride; triphenylphosphine; platinum(IV) oxide; In methanol; diethyl ether; dichloromethane;

DOI:10.1021/jm960167w

Reference yield:

3-(2.4-Dichlor-phenyl)-prop-2-en-1-ol (1504-59-2) → 1-(3-Bromo-propyl)-2,4-dichloro-benzene (93962-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / PtO₂ / methanol / 2585.7 Torr

2: NBS, Ph₃P / CH₂Cl₂ / 0.42 h / 0 - 20 °C

With N-Bromosuccinimide; hydrogen; triphenylphosphine; platinum(IV) oxide; In methanol; dichloromethane;

DOI:10.1021/jm960167w

upstream raw materials:

3-(2,4-dichlorophenyl)propan-1-ol

2,4-dichlorocinnamic acid

3-(2.4-Dichlor-phenyl)-prop-2-en-1-ol

methyl 2,4-dichlorocinnamate

Downstream raw materials:

4-[3-(2,4-Dichloro-phenyl)-propylsulfanyl]-3-oxo-butyric acid methyl ester

3-Cyano-4-[3-(2,4-dichloro-phenyl)-propylsulfanyl]-3-hydroxy-butyric acid methyl ester

C₁₅H₁₄Cl₂N₂O₃

Thioacetic acid S-[3-(2,4-dichloro-phenyl)-propyl] ester