2-Chloro-4-ethyl-5-pyrimidinecarbonyl chloride

Base Information

• Chemical Name: 2-Chloro-4-ethyl-5-pyrimidinecarbonyl chloride
• CAS No.: 306960-72-5
• Molecular Formula: C7H6 Cl2 N2 O
• Molecular Weight: 205.04134
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30444711
• Wikidata: Q82262950
• Mol file: 306960-72-5.mol

Synonyms:306960-72-5;2-CHLORO-4-ETHYL-5-PYRIMIDINECARBONYL CHLORIDE;2-chloro-4-ethylpyrimidine-5-carbonyl chloride;SCHEMBL3056042;DTXSID30444711;2-chloro-4-ethylpyrimidine-5-carbonylchloride;5-pyrimidinecarbonyl chloride,2-chloro-4-ethyl-

Chemical Property of 2-Chloro-4-ethyl-5-pyrimidinecarbonyl chloride

Chemical Property:

• PSA: 42.85000
• LogP: 2.07140
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.9857182
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

2-CHLORO-4-ETHYL-5-PYRIMIDINECARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=NC=C1C(=O)Cl)Cl

Technology Process of 2-Chloro-4-ethyl-5-pyrimidinecarbonyl chloride

There total 5 articles about 2-Chloro-4-ethyl-5-pyrimidinecarbonyl chloride 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:

2-chloro-4-ethyl-pyrimidine-5-carboxylic acid (954226-17-6) → 2-chloro-4-ethyl-pyrimidine-5-carbonyl chloride (306960-72-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jm0001626

Reference yield:

ethyl 2-propionyl-3-ureido-2-propenoate (162129-77-3) → 2-chloro-4-ethyl-pyrimidine-5-carbonyl chloride (306960-72-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 81 percent / NaOEt / ethanol / 20 °C

2: POCl₃ / 1 h / Heating

3: aq. NaOH / 3 h / 20 °C

4: (COCl)2; DMF / CH₂Cl₂ / 4 h / 20 °C

With sodium hydroxide; oxalyl dichloride; sodium ethanolate; N,N-dimethyl-formamide; trichlorophosphate; In ethanol; dichloromethane; 1: Cyclization / 2: Chlorination / 3: Hydrolysis / 4: Chlorination;

DOI:10.1021/jm0001626

Reference yield:

ethyl 4-ethyl-2-hydroxypyrimidine-5-carboxylate (162129-79-5) → 2-chloro-4-ethyl-pyrimidine-5-carbonyl chloride (306960-72-5)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃ / 1 h / Heating

2: aq. NaOH / 3 h / 20 °C

3: (COCl)2; DMF / CH₂Cl₂ / 4 h / 20 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; trichlorophosphate; In dichloromethane; 1: Chlorination / 2: Hydrolysis / 3: Chlorination;

DOI:10.1021/jm0001626

upstream raw materials:

2-chloro-4-ethyl-pyrimidine-5-carboxylic acid

ethyl 2-propionyl-3-ureido-2-propenoate

ethyl 4-ethyl-2-hydroxypyrimidine-5-carboxylate

ethyl 2-chloro-4-ethylpyrimidine-5-carboxylate

Refernces