1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole

Base Information

• Chemical Name: 1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole
• CAS No.: 17154-12-0
• Molecular Formula: C11H13 Cl2 P
• Molecular Weight: 247.104
• European Community (EC) Number: 630-648-5
• Mol file: 17154-12-0.mol

Synonyms:17154-12-0;1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole

Chemical Property of 1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole

Chemical Property:

• Melting Point: 125-129 °C (dec.)(lit.)
• PSA: 13.59000
• LogP: 4.48030
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 246.0131928
• Heavy Atom Count: 14
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 22-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CP(CC1)(C2=CC=CC=C2)(Cl)Cl

Technology Process of 1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole

There total 3 articles about 1,1-Dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 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:

2,5-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide (7564-51-4) → 1-chloro-3-methyl-1-phenyl-2-phospholenium salt (17154-12-0)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / dichloromethane / 0.25 h / 0 °C / Schlenk technique; Inert atmosphere

2: 72 h / 26 °C / Inert atmosphere; Schlenk technique

With oxalyl dichloride; In dichloromethane;

DOI:10.1016/j.tetlet.2016.12.059

Reference yield:

1-chloro-3-methyl-1-phenyl-3-phospholenium chloride → 1-chloro-3-methyl-1-phenyl-2-phospholenium salt (17154-12-0)

Guidance literature:

at 26 ℃; for 72h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2016.12.059

Reference yield:

Dichlorophenylphosphine (644-97-3) + isoprene (78-79-5,9003-31-0) → 1-chloro-3-methyl-1-phenyl-2-phospholenium salt (17154-12-0)

Guidance literature:

at 20 ℃; for 336h;

DOI:10.1515/HC.2010.16.2-3.173

upstream raw materials:

Dichlorophenylphosphine

isoprene

2,5-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide

Downstream raw materials:

2,3-dibromo-3-methyl-1-phenylphospholane 1-oxide

2,3-dibromo-3-methyl-1-(3-bromophenyl)phospholane 1-oxide

3-methyl-1-(3-cyanophenyl)-2-phospholene 1-oxide

3-methyl-1-(3-bromophenyl)-2-phospholene 1-oxide