Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-amino-2-chloropyrimidine-5-carboxylate
• CAS No.: 71406-78-5
• Molecular Formula: C7H8ClN3O2
• Molecular Weight: 201.612
• Hs Code.: 2933599090
• European Community (EC) Number: 892-137-5
• DSSTox Substance ID: DTXSID20604645
• Wikidata: Q72434938
• Mol file: 71406-78-5.mol

Synonyms:ETHYL 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE;71406-78-5;MFCD09860847;4-amino-2-chloro-5-pyrimidinecarboxylic acid ethyl ester;SCHEMBL11319860;DTXSID20604645;BCP32261;AKOS015892493;AM85885;CS-W022683;GS-6611;SB60701;AC-27371;SY058458;A837172;J-520966;ETHYL4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE

Chemical Property of Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Chemical Property:

• Melting Point: 156℃
• Boiling Point: 376.8 °C at 760 mmHg
• PKA: 0.55±0.10(Predicted)
• Flash Point: 181.7 °C
• PSA: 78.10000
• Density: 1.395 g/cm³
• LogP: 1.47010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 201.0305042
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl4-amino-2-chloropyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C(N=C1N)Cl

Technology Process of Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

There total 4 articles about Ethyl 4-amino-2-chloropyrimidine-5-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:

ethyl 2,4-dichloropyrimidine-5-carboxylate (51940-64-8) → ethyl 2-amino-4-chloropyrimidine-5-carboxylate (1240597-30-1) + ethyl 4-amino-2-chloropyrimidine-5-carboxylate (71406-78-5)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield:

2,4-dichloro-5-pyrimidinecarboxylic acid methyl ester (3177-20-6) → ethyl 4-amino-2-chloropyrimidine-5-carboxylate (71406-78-5)

Guidance literature:

With ammonia;

DOI:10.1021/ja01256a016

Reference yield:

ethyl 2,4-dichloropyrimidine-5-carboxylate (51940-64-8) → ethyl 4-amino-2-chloropyrimidine-5-carboxylate (71406-78-5)

Guidance literature:

With ammonia;

DOI:10.1086/315874

upstream raw materials:

2,4-dichloro-5-pyrimidinecarboxylic acid methyl ester

ethyl 2,4-dichloropyrimidine-5-carboxylate

5-carbethoxyuracil

Downstream raw materials:

(4-amino-2-chloro-pyrimidin-5-yl)-methanol

2,4-Diamino-5-ethoxycarbonyl-pyrimidin

4-amino-2-chloropyrimidine-5-carboxylic acid

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