Chlorphenoxamine

Base Information

• Chemical Name: Chlorphenoxamine
• CAS No.: 77-38-3
• Molecular Formula: C18H22 Cl N O
• Molecular Weight: 303.832
• Hs Code.: 2922199090
• UNII: 3UVD77BP8R
• DSSTox Substance ID: DTXSID5022805
• Nikkaji Number: J4.200E
• Wikipedia: Chlorphenoxamine
• Wikidata: Q5103225
• NCI Thesaurus Code: C81131
• Metabolomics Workbench ID: 152080
• ChEMBL ID: CHEMBL2110774
• Mol file: 77-38-3.mol

Synonyms:chlorphenoxamine;chlorphenoxamine hydrochloride;Systral

Chemical Property of Chlorphenoxamine

Chemical Property:

• Vapor Pressure: 4.31E-06mmHg at 25°C
• Boiling Point: 383.7°C at 760 mmHg
• PKA: 8.71±0.28(Predicted)
• Flash Point: 185.9°C
• PSA: 12.47000
• Density: 1.093g/cm³
• LogP: 4.18170
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 303.1389920
• Heavy Atom Count: 21
• Complexity: 296

Purity/Quality:

99.9% ^*data from raw suppliers

Chlorphenoxamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C
• Uses: Chlorphenoxamine, is an antihistaminic preparation used as a treatment for antibacterial infections.

Technology Process of Chlorphenoxamine

There total 6 articles about Chlorphenoxamine 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:

4-chloro-benzoyl chloride (122-01-0) → chlorphenoxamine (77-38-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) anhydr. manganese bromide / 1.) 0 deg C then 20 deg C, 45 min; 2.) 0 deg C then 20 deg C, 1.5 h

2: 0 deg C then 20 deg C, 4h

3: NaNH₂ / toluene / 4 h / Heating

With manganese(II) bromide; sodium amide; In toluene;

DOI:10.1016/S0040-4039(00)82147-4

Reference yield:

phenyllithium (591-51-5) → chlorphenoxamine (77-38-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) anhydr. manganese bromide / 1.) 0 deg C then 20 deg C, 45 min; 2.) 0 deg C then 20 deg C, 1.5 h

2: 0 deg C then 20 deg C, 4h

3: NaNH₂ / toluene / 4 h / Heating

With manganese(II) bromide; sodium amide; In toluene;

DOI:10.1016/S0040-4039(00)82147-4

Reference yield:

4-chlorobenzophenone (134-85-0) → chlorphenoxamine (77-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 0 deg C then 20 deg C, 4h

2: NaNH₂ / toluene / 4 h / Heating

With sodium amide; In toluene;

DOI:10.1016/S0040-4039(00)82147-4

upstream raw materials:

1-(4-chloro-phenyl)-1-phenyl-ethanol

2-(dimethylamino)ethyl chloride

4-chloro-benzoyl chloride

phenyllithium

Refernces

CpCo-stabilized cyclopentadienones from cyclobutadiene complexes: Experimental and theoretical investigations

10.1021/om050048r

The study focuses on the synthesis and investigation of CpCo-stabilized cyclopentadienones derived from cyclobutadiene complexes. The main chemicals used include 1,4,8,11-tetrathiacyclotetradeca-2,9-diyne (7), C5H4(CO2Me)Co(CO)2 (8), and C5H4(SiMe3)Co(CO)2 (10), which react to form tricyclic cyclopentadienone complexes 9 and 11. The study also involves the preparation of tetrathiaalkyl- and tetrathiaaryl-substituted C5H4(CO2Me)Co-capped cyclobutadiene complexes 23 and 27-30. These compounds were heated under a pressurized CO atmosphere to form cyclopentadienone complexes 9, 15, and 31-33. The purpose of these chemicals is to explore the reactivity of CpCo-stabilized cyclobutadiene complexes towards carbon monoxide insertion, leading to the formation of cyclopentadienone complexes. The study combines experimental work with theoretical calculations at the B3LYP level to understand the mechanism behind these reactions and the influence of various substituents on the reaction pathways and energies of intermediates.

Frontier-Controlled Pericyclic Reactions of a Powerful Electron-Attracting Fused-Ring Cyclopentadienone

10.1021/jo00140a028

The study investigates the pericyclic reactions of a powerful electron-attracting fused-ring cyclopentadienone, 2-oxo-1,3-bis(ethoxycarbonyl)-2H-cyclopenta[i]acenaphthylene (la), with various dienophiles. The researchers explore the cycloaddition reactions of la with different olefins, including styrenes, cycloheptatriene, and N-(ethoxycarbonyl)azepine, to form [4 + 2] cycloadducts that spontaneously lose carbon monoxide to yield tetrasubstituted 1,3-cyclohexadiene derivatives. The study also examines the Cope rearrangement of these adducts and the double Diels-Alder reactions involving la. The reactivity of la is discussed in terms of frontier molecular orbital (FMO) theory, and the structures of the resulting compounds are analyzed using molecular mechanics calculations and X-ray crystallography. The results highlight the influence of electron-withdrawing substituents and ring fusion on the reactivity of cyclopentadienones and provide insights into the mechanisms of these pericyclic reactions.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 77-38-3 CHLORPHENOXAMINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send