2-Chloro-N-pyrimidin-2-yl-acetamide

Base Information

• Chemical Name: 2-Chloro-N-pyrimidin-2-yl-acetamide
• CAS No.: 52687-97-5
• Molecular Formula: C6H6ClN3O
• Molecular Weight: 171.58
• Hs Code.: 2933599090
• European Community (EC) Number: 829-716-9
• DSSTox Substance ID: DTXSID80350434
• Wikidata: Q82126379
• Mol file: 52687-97-5.mol

Synonyms:52687-97-5;2-Chloro-N-pyrimidin-2-yl-acetamide;2-chloro-N-(pyrimidin-2-yl)acetamide;2-chloro-N-pyrimidin-2-ylacetamide;2-Chloro-N-(2-pyrimidinyl)acetamide;2-Chloro-N-2-pyrimidinylacetamide;SCHEMBL1430518;DTXSID80350434;JHKOSWFVNOWHEU-UHFFFAOYSA-N;N-(pyrimidin-2-yl)chloroacetamide;CS-B1375;MFCD00096060;STL146148;AKOS000202864;SB55585;UPCMLD0ENAT0514-1451:001;BB 0220371;FT-0640093;EN300-04246;12X-0945;J-509095;Z56887599

Chemical Property of 2-Chloro-N-pyrimidin-2-yl-acetamide

Chemical Property:

• Melting Point: 150-153oC
• PSA: 54.88000
• Density: 1.425g/cm³
• LogP: 0.72690
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.0199395
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-(2-pyrimidinyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)NC(=O)CCl

Technology Process of 2-Chloro-N-pyrimidin-2-yl-acetamide

There total 2 articles about 2-Chloro-N-pyrimidin-2-yl-acetamide 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: 85.22%

2-aminopyrimidine (109-12-6) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(pyrimidin-2-yl)acetamide (52687-97-5)

Guidance literature:

With potassium carbonate; In dichloromethane; at 0 ℃; for 3h; Inert atmosphere;

Reference yield:

→ 2-chloro-N-(pyrimidin-2-yl)acetamide (52687-97-5)

Guidance literature:

/BRN= 959037/ (XXI) <100grad, 20 Torr>;

Reference yield: 99.6%

2-chloro-N-(pyrimidin-2-yl)acetamide (52687-97-5) → pyrimidin-2-ylamine; hydrochloride (17802-65-2,19868-02-1)

Guidance literature:

With thionyl chloride; In methanol; for 4h; Reflux;

DOI:10.1007/s11164-011-0327-6

upstream raw materials:

2-aminopyrimidine

chloroacetyl chloride

Downstream raw materials:

(R)-3-(1-Phenyl-cycloheptanecarbonyloxy)-1-(pyrimidin-2-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane chloride

pyrimidin-2-ylamine; hydrochloride

C₁₃H₁₁N₅OS₂

2-chloro-N-(2-(2-oxo-2-(pyrimidin-2-ylamino)ethylthio)benzo[d]thiazol-6-yl)acetamide

Refernces

• 1、 -. "Synthesis method for pyrimidine derivative quaternary ammonium salt cationic surfactant". Paragraph 0021. . Retrieved 2017/08/16.
• 2、 Saxena, Shalini,Samala, Ganesh,Sridevi, Jonnalagadda Padma,Devi, Parthiban Brindha,Yogeeswari, Perumal,Sriram, Dharmarajan. "Design and development of novel Mycobacterium tuberculosis l-alanine dehydrogenase inhibitors". . p. 401 - 414. Retrieved 2015/03/04.