1,1-Dichloro-2,3-diphenylcyclopropane

Base Information

• Chemical Name: 1,1-Dichloro-2,3-diphenylcyclopropane
• CAS No.: 59130-21-1
• Molecular Formula: C15H12 Cl2
• Molecular Weight: 263.166
• NSC Number: 699679
• DSSTox Substance ID: DTXSID90974569
• Nikkaji Number: J864.750J
• ChEMBL ID: CHEMBL297264
• Mol file: 59130-21-1.mol

Synonyms:1,1-dichloro-2,3-diphenylcyclopropane;1,1-dichlorodiphenylcyclopropane;a.k.a. analog II;analog II, tamoxifen;tamoxifen analog II;tamoxifen analog II, (cis)-isomer;tamoxifen analog II, (trans)-isomer

Chemical Property of 1,1-Dichloro-2,3-diphenylcyclopropane

Chemical Property:

• Vapor Pressure: 4.31E-05mmHg at 25°C
• Boiling Point: 361.4°C at 760 mmHg
• Flash Point: 165°C
• PSA: 0.00000
• Density: 1.28g/cm³
• LogP: 4.74150
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 262.0316058
• Heavy Atom Count: 17
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(C2(Cl)Cl)C3=CC=CC=C3

Technology Process of 1,1-Dichloro-2,3-diphenylcyclopropane

There total 4 articles about 1,1-Dichloro-2,3-diphenylcyclopropane 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: 93.0%

(E)-1,2-diphenyl-ethene (103-30-0) + chloroform (67-66-3,8013-54-5) → 1,1-dichloro-trans-2,3-diphenylcyclopropane (33044-82-5,36611-98-0,59130-21-1)

Guidance literature:

With sodium hydroxide; copolyesteramide (from N,N'-bis(4-methoxycarbonylbenzoyl)hexamethylenediamine, 1,6-hexanediol, poly(ethylene glycol)); at 20 ℃; for 5h;

Reference yield:

(E)-1,2-diphenyl-ethene (103-30-0) + phenyl(bromodichloromethyl)mercury (3294-58-4) → 1,1-dichloro-trans-2,3-diphenylcyclopropane (33044-82-5,36611-98-0,59130-21-1)

Guidance literature:

In benzene; Heating;

DOI:10.1021/ja00947a009

Reference yield:

(E)-1,2-diphenyl-ethene (103-30-0) + chloroform (67-66-3,8013-54-5) → 1,1-dichloro trans-2,3-diphenylcyclopropane (59130-21-1)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; at 40 - 45 ℃; for 7h;

upstream raw materials:

(E)-1,2-diphenyl-ethene

chloroform

phenyl(bromodichloromethyl)mercury

Downstream raw materials:

2-Chlor-1-phenylinden

1,3-diphenylpropene

1,3-Diphenylpropanone

1,2-diphenyl-cyclopropane