1-Chloro-5-isocyanato-2,4-dimethoxybenzene

Base Information

• Chemical Name: 1-Chloro-5-isocyanato-2,4-dimethoxybenzene
• CAS No.: 55440-55-6
• Molecular Formula: C9H8ClNO3
• Molecular Weight: 213.62
• Hs Code.: 2929109000
• European Community (EC) Number: 625-568-2
• DSSTox Substance ID: DTXSID10402753
• Nikkaji Number: J410.669E
• Mol file: 55440-55-6.mol

Synonyms:1-chloro-5-isocyanato-2,4-dimethoxybenzene;55440-55-6;5-Chloro-2,4-dimethoxyphenyl isocyanate;3-chloro-4,6-dimethoxyphenyl isocyanate;SCHEMBL1457541;DTXSID10402753;BBL037665;GEO-02612;MFCD00013857;STK502567;AKOS005171100;5-Chloro-2,4-dimethoxyphenylisocyanate;VS-14352;BB 0260971;FT-0620235;1-chloro-5-isocyanato-2,4-dimethoxy-benzene;5-Chloro-2,4-dimethoxyphenyl isocyanate, 97%;EN300-148105;A830645;W-200429

Chemical Property of 1-Chloro-5-isocyanato-2,4-dimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.000464mmHg at 25°C
• Melting Point: 94-98oC
• Boiling Point: 314.5oC at 760 mmHg
• Flash Point: 144oC
• PSA: 47.89000
• Density: 1.24g/cm3
• LogP: 2.32450
• Sensitive.: Moisture Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 213.0192708
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

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

1-chloro-5-isocyanato-2,4-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N=C=O)Cl)OC

Technology Process of 1-Chloro-5-isocyanato-2,4-dimethoxybenzene

There total 1 articles about 1-Chloro-5-isocyanato-2,4-dimethoxybenzene 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:

→ 5-chloro-2,4-dimethoxyphenyl isocyanate (55440-55-6)

Guidance literature:

5-chloro-2.4-dimethoxyaniline, phosgene, ethylacetate;

Reference yield: 100.0%

4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline (190728-25-7) + 5-chloro-2,4-dimethoxyphenyl isocyanate (55440-55-6) → N-(3-Chloro-4,6-dimethoxyphenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea

Guidance literature:

In toluene;

Reference yield: 88.0%

5-chloro-2,4-dimethoxyphenyl isocyanate (55440-55-6) + u202fN-(1H-indazol-5-yl)quinazolin-4-amine → u202fN-(5-chloro-2,4-dimethoxyphenyl)-5-(quinazolin-4-ylamino)-1H-indazole-1-carboxamide

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1016/j.bioorg.2018.10.071

Downstream raw materials:

(5-Chloro-2,4-dimethoxy-phenyl)-carbamic acid 3-methoxycarbonylamino-phenyl ester

2-(3-butyl-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-N,N'-bis(5-chloro-2,4-dimethoxyphenyl)malonamide

1-(5-chloro-2,4-dimetoxy-phenyl)-3-(3-{8-[(pyridin-4-yl-methyl)-amino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-urea

C₁₈H₁₇ClN₄O₃

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