6-Chrysenamine

Base Information

• Chemical Name: 6-Chrysenamine
• CAS No.: 2642-98-0
• Molecular Formula: C18H13 N
• Molecular Weight: 243.308
• Hs Code.: 29214900
• European Community (EC) Number: 220-149-7
• NSC Number: 80186
• UNII: I56L81BL2L
• DSSTox Substance ID: DTXSID70181017
• Nikkaji Number: J9.254A
• Wikidata: Q27165680
• Pharos Ligand ID: P49UDU1WH3DU
• ChEMBL ID: CHEMBL313154
• Mol file: 2642-98-0.mol

Synonyms:6-aminochrysene;6-chrysenamine;6-chrysenylamine;6-chrysylamine;chrysenex;CP 1001

Chemical Property of 6-Chrysenamine

Chemical Property:

• Appearance/Colour: yellow to orange or brown crystalline powder
• Vapor Pressure: 3.56E-10mmHg at 25°C
• Melting Point: 209-211 °C(lit.)
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 501.2°Cat760mmHg
• PKA: 4.32±0.30(Predicted)
• Flash Point: 286.9°C
• PSA: 26.02000
• Density: 1.253g/cm³
• LogP: 5.30960
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: 155ug/L(24 oC)
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.104799419
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

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

6-Aminochrysene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N
• Uses: Produces tumors in mice. 6-Aminochrysene is a potent inhibitor of transferase activity. Also, it is used for the synthesis of diarylthiourea analogs as novel anti-cancer agents.

Technology Process of 6-Chrysenamine

There total 7 articles about 6-Chrysenamine 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: 99.0%

6-nitrochrysene (7496-02-8) → 6-aminochrysene (2642-98-0)

Guidance literature:

With ammonium acetate; zinc; In water; Product distribution; Ambient temperature; influence of ammonium acetate; the lenght of the reducer column;;

DOI:10.1021/ac00154a001

Reference yield:

→ 6-aminochrysene (2642-98-0)

Guidance literature:

Reference yield:

→ 6-aminochrysene (2642-98-0)

Guidance literature:

With hydrogenchloride; tin;

upstream raw materials:

6-nitrochrysene

hydrogen iodide

acetic acid

hydrogenchloride

Downstream raw materials:

Benzonaphtho<1,2-f>chinolin

6--chrysen

6-acetoxychrysene

3-(2-methoxyphenyl)propynoic acid benzylchrysen-6-ylamide

Refernces

• 1、 Banik, Bimal K.,Banik, Indrani,Samajdar, Susanta,Wilson, Mary. "Facile synthesis of biologically active heterocycles by indium-induced reactions of aromatic nitro compounds in aqueous ethanol". . p. 283 - 296. Retrieved 2007/10/03.
• 2、 Banik, Bimal K,Becker, Frederick F. "Polycyclic aromatic compounds as anticancer agents: Structure-activity relationships of chrysene and pyrene derivatives". . p. 593 - 605. Retrieved 2007/10/03.