5-Chloro-2,4-dimethoxyaniline

Base Information

• Chemical Name: 5-Chloro-2,4-dimethoxyaniline
• CAS No.: 97-50-7
• Molecular Formula: C8H10ClNO2
• Molecular Weight: 187.626
• Hs Code.: 2922299090
• European Community (EC) Number: 202-586-5
• NSC Number: 50657
• UNII: LZ646979LA
• DSSTox Substance ID: DTXSID1059153
• Nikkaji Number: J60.214K
• Wikidata: Q27283265
• ChEMBL ID: CHEMBL1469530
• Mol file: 97-50-7.mol

Synonyms:Aniline,5-chloro-2,4-dimethoxy- (7CI,8CI);(3-Chloro-4,6-dimethoxyphenyl)amine;3-Chloro-4,6-dimethoxyaniline;5-Chloro-2,4-dimethoxyaminobenzene;ITR Amine;NSC 50657;

Chemical Property of 5-Chloro-2,4-dimethoxyaniline

Chemical Property:

• Appearance/Colour: brown crystalline powder
• Vapor Pressure: 0.000824mmHg at 25°C
• Melting Point: 89-92 °C
• Refractive Index: 1.555
• Boiling Point: 305.4 °C at 760 mmHg
• Flash Point: 138.5 °C
• PSA: 44.48000
• Density: 1.237 g/cm³
• LogP: 2.52060
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.0400063
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2,4-dimethoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 37/39-26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N)Cl)OC
• Uses: 5-Chloro-2,4-dimethoxyaniline is a reagent used in the synthesis of anti-leishmaniasis agents such as 4-arylamino-6-nitroquinazoles.

Technology Process of 5-Chloro-2,4-dimethoxyaniline

There total 12 articles about 5-Chloro-2,4-dimethoxyaniline 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: 13.0%

1-chloro-2,4-dimethoxybenzene (7051-13-0) → 5-chloro-2,4-dimethoxyaniline (97-50-7) + 2-chloro-3,5-dimethoxy-phenylamine (120758-03-4)

Guidance literature:

1-chloro-2,4-dimethoxybenzene; With sulfuric acid; hydroxylamine hydrochloride; In acetonitrile; at 25 ℃; for 0.166667h;

With hydrogenchloride; titanium(III) chloride; In water; acetonitrile; at 25 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c00598

Reference yield:

1-chloro-2,4-dimethoxy-5-nitrobenzene (119-21-1) → 5-chloro-2,4-dimethoxyaniline (97-50-7)

Guidance literature:

With iron; acetic acid;

Reference yield:

2,4,5-Trichloronitrobenzene (89-69-0) → 5-chloro-2,4-dimethoxyaniline (97-50-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol. NaOH

2: iron; aqueous HCl

With hydrogenchloride; sodium hydroxide; iron;

upstream raw materials:

1-chloro-2,4-dimethoxy-5-nitrobenzene

2,4,5-Trichloronitrobenzene

para-dichlorobenzene

1,4-dichloro-2,5-dinitrobenzene

Downstream raw materials:

5-Chlor-2,4-dimethoxy-formanilid

1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea

<(5-Chlor-2,4-dimethoxy-anilino)-methylen>-cyanessigsaeureaethylester

2-(5-Chlor-2,4-dimethoxy-phenyl-carbamoyl)-anilin

Refernces