Ethyl 3-chloropyridazine-4-carboxylate

Base Information

• Chemical Name: Ethyl 3-chloropyridazine-4-carboxylate
• CAS No.: 1445-54-1
• Molecular Formula: C7H7ClN2O2
• Molecular Weight: 186.598
• Hs Code.: 2933990090
• European Community (EC) Number: 854-632-4
• DSSTox Substance ID: DTXSID90561458
• Wikidata: Q82445281
• Mol file: 1445-54-1.mol

Synonyms:ETHYL 3-CHLOROPYRIDAZINE-4-CARBOXYLATE;1445-54-1;3-Chloro-pyridazine-4-carboxylic acid ethyl ester;4-Pyridazinecarboxylic acid, 3-chloro-, ethyl ester;MFCD12828685;Ethyl3-Chloropyridazine-4-carboxylate;SCHEMBL1623223;DTXSID90561458;UAEJFCPXIREEHM-UHFFFAOYSA-N;AMY20480;AKOS015903611;ethyl 3-chloro-4-pyridazinecarboxylate;SB33656;AS-31588;SY006110;CS-0054919;EN300-95013;3-chloropyridazine-4-carboxylic acid ethyl ester;A884796;Z1255373892

Chemical Property of Ethyl 3-chloropyridazine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000205mmHg at 25°C
• Melting Point: 49 °C
• Boiling Point: 327.3oC at 760 mmHg
• PKA: -1.05±0.10(Predicted)
• Flash Point: 151.7oC
• PSA: 52.08000
• Density: 1.311g/cm3
• LogP: 1.30670
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.0196052
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98% ^*data from raw suppliers

Ethyl3-chloropyridazine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=NC=C1)Cl

Technology Process of Ethyl 3-chloropyridazine-4-carboxylate

There total 1 articles about Ethyl 3-chloropyridazine-4-carboxylate 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:

→ 3-chloropyridazine-4-carboxylic acid ethyl ester (1445-54-1)

Guidance literature:

Pyridazon-(6)-carbonsaeure-(5)-ethylester, POCl3, wenig Wasser, 70-75grad;

Reference yield: 31.0%

2-amino-benzenethiol (137-07-5) + 3-chloropyridazine-4-carboxylic acid ethyl ester (1445-54-1) → ethyl 3-(2-aminophenylthio)-4-pyridazinecarboxylate (135128-12-0)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; for 4h; Ambient temperature;

DOI:10.1007/BF00809662

Reference yield: 3.6%

2-[2-(3-chloro-phenyl)-ethoxy]-acetamidine hydrochloride (958358-82-2) + 3-chloropyridazine-4-carboxylic acid ethyl ester (1445-54-1) → 7-[2-(3-chloro-phenyl)-ethoxymethyl]-6H-pyrimido[4,5-c]pyridazin-5-one (1060687-74-2)

Guidance literature:

2-[2-(3-chloro-phenyl)-ethoxy]-acetamidine hydrochloride; With sodium methylate; In methanol; at 0 - 20 ℃; for 0.25h;

3-chloropyridazine-4-carboxylic acid ethyl ester; With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 18h;

Downstream raw materials:

ethyl 3-(2-aminophenylthio)-4-pyridazinecarboxylate

7-[2-(3-chloro-phenyl)-ethoxymethyl]-6H-pyrimido[4,5-c]pyridazin-5-one

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