1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]-

Base Information

• Chemical Name: 1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]-
• CAS No.: 22359-32-6
• Molecular Formula: C17H12ClNO3
• Molecular Weight: 313.74
• European Community (EC) Number: 666-100-7
• DSSTox Substance ID: DTXSID90400459
• Nikkaji Number: J3.268.848I
• Wikidata: Q82203453
• ChEMBL ID: CHEMBL1631461
• Mol file: 22359-32-6.mol

Synonyms:22359-32-6;2-chloro-3-[(4-methoxyphenyl)amino]naphthalene-1,4-dione;1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]-;CHEMBL1631461;SCHEMBL12283051;DTXSID90400459;STL573294;AKOS001487785;2-chloro-3-(4-methoxyanilino)naphthoquinone;2-chloro-3-[(4-methoxyphenyl)amino]naphthoquinone;2-chloro-3-(4-methoxyphenylamino)-1,4-naphthoquinone;2-Chloro-3-(4-methoxyphenylamino)naphthalene-1,4-dione

Chemical Property of 1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]-

Chemical Property:

• PSA: 55.40000
• LogP: 3.70970
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 313.0505709
• Heavy Atom Count: 22
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

3-CHLORO-2-(4-METHOXYANILINO)-1,4-NAPHTHOQUINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Technology Process of 1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]-

There total 9 articles about 1,4-Naphthalenedione, 2-chloro-3-[(4-methoxyphenyl)amino]- 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: 90.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 4-methoxy-aniline (104-94-9) → 2-chloro-3-(4-methoxyphenyl)amino-1,4-naphthoquinone (22359-32-6)

Guidance literature:

In neat (no solvent, solid phase); at 20 ℃; for 1.33333h;

DOI:10.1016/j.saa.2012.08.056

Reference yield: 71.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 1,4-bis(4'-methoxyphenyl)-1,4-diazabuta-1,3-diene (24978-42-5,24764-91-8) → 2-chloro-3-(4-methoxyphenyl)amino-1,4-naphthoquinone (22359-32-6)

Guidance literature:

In ethyl acetate; for 72h; Ambient temperature;

Reference yield: 18.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + N-(4-(N,N-dimethylamino)benzal)-p-anisidine (1749-04-8) → 2-chloro-3-(4-methoxyphenyl)amino-1,4-naphthoquinone (22359-32-6) + 4-dimethylamino-benzaldehyde (100-10-7)

Guidance literature:

In ethyl acetate; for 24h; Heating;

DOI:10.1246/bcsj.68.3131

upstream raw materials:

2,3-Dichloro-1,4-naphthoquinone

4-methoxy-aniline

aniline

pyridine

Downstream raw materials:

10-chloro-6-(4-methoxyanilino)-5H-benzo[a]-phenothiazin-5-one

9-methoxy-6-(4-methoxyanilino)-5H-benzo[a]-phenothiazin-5-one

6-(4-methoxyanilino)-10-trifluromethyl-5H-benzo-[a]phenothiazin-5-one

10-Chloro-6-(4-methoxy-phenylamino)-12H-benzo[a]phenothiazin-5-ol

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