9-Chlorotriptycene

Base Information

• Chemical Name: 9-Chlorotriptycene
• CAS No.: 793-40-8
• Molecular Formula: C20H13Cl
• Molecular Weight: 288.776
• NSC Number: 122893
• Nikkaji Number: J52.994J
• Mol file: 793-40-8.mol

Synonyms:9-Chlorotriptycene;NSC122893;NSC-122893

Chemical Property of 9-Chlorotriptycene

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Boiling Point: 381.1°C at 760 mmHg
• Flash Point: 172.5°C
• PSA: 0.00000
• Density: 1.33g/cm³
• LogP: 5.02430
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 288.0705781
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)Cl

Technology Process of 9-Chlorotriptycene

There total 11 articles about 9-Chlorotriptycene 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: 59.0%

C29H17NO4 → 9-chlorotriptycene (793-40-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tetrachloromethane; In water; tert-butyl alcohol; for 3h; Irradiation;

DOI:10.1039/c39890001636

Reference yield: 35.0%

9-chloroanthracene (716-53-0) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 9-chlorotriptycene (793-40-8)

Guidance literature:

With maleic anhydride; pyrographite; isopentyl nitrite; 1) dichloroethane, THF, reflux, 2) toluene, reflux, 30 min;

DOI:10.1021/jo00166a008

Reference yield:

N-(9-triptycyl)hydroxylamine (98683-04-6) → 9-chlorotriptycene (793-40-8)

Guidance literature:

Multi-step reaction with 3 steps

1: PhNO, aq. KOH / ethanol

2: SnCl₂, AcOH, aq. HCl

3: HCl, EtONO / methanol

With hydrogenchloride; potassium hydroxide; ethyl nitrite; acetic acid; Nitrosobenzene; tin(ll) chloride; In methanol; ethanol;

upstream raw materials:

9-amino triptycene

9-chloroanthracene

anthranilic acid

(trimethylstannyl)lithium

Downstream raw materials:

triptycene

9-triptycyl lithium