O,P'-Dde

Base Information

• Chemical Name: O,P'-Dde
• CAS No.: 3424-82-6
• Molecular Formula: C14H8 Cl4
• Molecular Weight: 318.03
• Hs Code.: 2903999090
• European Community (EC) Number: 222-318-0
• NSC Number: 59908
• UNII: DM084YLQ1L
• DSSTox Substance ID: DTXSID4022313
• Nikkaji Number: J80.730C
• Wikidata: Q27115908
• Metabolomics Workbench ID: 68426
• ChEMBL ID: CHEMBL1391
• Mol file: 3424-82-6.mol

Synonyms:1-chloro-2-(2,2-dichloro-1-(4-chlorophenyl)vinyl)benzene;2,2-(2-chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene;o,p'-DDE

Chemical Property of O,P'-Dde

Chemical Property:

• Melting Point: 78.32°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 380.6 °C at 760 mmHg
• Flash Point: 181.8 °C
• PSA: 0.00000
• Density: 1.402 g/cm3
• LogP: 6.18790
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.14mg/L(25 oC)
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 317.935061
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4’-DDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Xn,N,T,F
• Statements: 22-40-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-60-61-45-24-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
• Uses: OP-DDE is a DDT metabolite that affects the estrogen and progesterone receptors. It has also been studied as a potential use in treatment of metastatic aderenal carcinoma.

Technology Process of O,P'-Dde

There total 8 articles about O,P'-Dde 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:

o,p'-DDT (789-02-6,58633-26-4) → 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethylene (3424-82-6)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01225a058 DOI:10.1002/hlca.19460290308 DOI:10.1021/ja01228a052 DOI:10.1039/jr9460000333

Reference yield:

2-chlorophenylmagnesium bromide (36692-27-0) → 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethylene (3424-82-6)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 0 °C

2: concentrated H₂SO₄ / 45 - 60 °C

3: NaOH

With sodium hydroxide; diethyl ether; sulfuric acid;

DOI:10.1021/ja01225a058

Reference yield:

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol (10291-39-1) → 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethylene (3424-82-6)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated H₂SO₄ / 45 - 60 °C

2: NaOH

With sodium hydroxide; sulfuric acid;

DOI:10.1021/ja01225a058

upstream raw materials:

o,p'-DDT

1-Chloro-2-o-chlorophenyl-2-p'-chlorophenylethylene

iron(III) chloride

2-chlorophenylmagnesium bromide

Downstream raw materials:

2,4'-dichloro-benzophenone-(2,4-dinitro-phenylhydrazone)

2,4'-dichlorobenzophenone

1-(2-chlorophenyl)-1-(4-chlorophenyl)acetic acid