2,3-Bis(chloromethyl)-1,4-naphthoquinone

Base Information

• Chemical Name: 2,3-Bis(chloromethyl)-1,4-naphthoquinone
• CAS No.: 31581-11-0
• Molecular Formula: C12H8 Cl2 O2
• Molecular Weight: 255.1
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID50185472
• Nikkaji Number: J61.691E
• Wikidata: Q83056499
• ChEMBL ID: CHEMBL167813
• Mol file: 31581-11-0.mol

Synonyms:2,3-bis(chloromethyl)-1,4-naphthoquinone;CMNQ

Chemical Property of 2,3-Bis(chloromethyl)-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 6.69E-06mmHg at 25°C
• Boiling Point: 377.6°Cat760mmHg
• Flash Point: 159.6°C
• PSA: 34.14000
• Density: 1.39g/cm³
• LogP: 2.83980
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.9901349
• Heavy Atom Count: 16
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

2,3-DI(CHLOROMETHYL)-1,4-DIHYDRONAPHTHALENE-1,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)CCl)CCl

Technology Process of 2,3-Bis(chloromethyl)-1,4-naphthoquinone

There total 2 articles about 2,3-Bis(chloromethyl)-1,4-naphthoquinone 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: 68.9%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + [1,4]naphthoquinone (130-15-4) → 2,3-bis(chloromethyl)-1,4-naphthoquinone (31581-11-0)

Guidance literature:

With hydrogenchloride; In acetic acid;

DOI:10.1021/jm00372a021

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetic acid (64-19-7,77671-22-8) + [1,4]naphthoquinone (130-15-4) → 2,3-bis(chloromethyl)-1,4-naphthoquinone (31581-11-0)

Guidance literature:

DOI:10.1039/jr9530001196

Reference yield: 70.0%

Nitroethane (79-24-3) + 2,3-bis(chloromethyl)-1,4-naphthoquinone (31581-11-0) → 2,3-dimethylanthraquinone (6531-35-7)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; toluene; 1.) 1 h, 2.) r.t., irradiation, 48 h;

DOI:10.1055/s-1998-1863

upstream raw materials:

formaldehyd

[1,4]naphthoquinone

hydrogenchloride

acetic acid

Downstream raw materials:

2,3-bis-(p-tolylthiomethyl)-1,4-naphthoquinone

2,3-dimethylanthraquinone

2,3-bis(hydroxymethyl)-1,4-naphthoquinone bis(N-methylcarbamate)

2,3-bis(hydroxymethyl)-1,4-naphthoquinone bis[N-(2-chloroethyl)carbamate]

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