Pyrimidine-2-carbohydrazide

Base Information

• Chemical Name: Pyrimidine-2-carbohydrazide
• CAS No.: 87362-28-5
• Molecular Formula: C₅H₆N₄O
• Molecular Weight: 138.129
• Hs Code.: 2933599090
• European Community (EC) Number: 825-563-7
• DSSTox Substance ID: DTXSID40457852
• Nikkaji Number: J1.865.004E
• Wikidata: Q82280877
• ChEMBL ID: CHEMBL4857151
• Mol file: 87362-28-5.mol

Synonyms:Pyrimidine-2-carbohydrazide;87362-28-5;Pyrimidine-2-carboxylic acid hydrazide;2-Pyrimidinecarboxylicacid,hydrazide;2-Pyrimidinecarbohydrazide;SCHEMBL110389;CHEMBL4857151;DTXSID40457852;DQEIYNHQKWEZKR-UHFFFAOYSA-N;BDBM246858;2-pyrimidinecarboxylic acid hydrazide;MFCD00508242;Pyrimidin-2-carboxylic acid hydrazide;AKOS000279221;FT-0766873;EN300-234891;US10053463, 8;F2147-1235

Chemical Property of Pyrimidine-2-carbohydrazide

Chemical Property:

• PSA: 80.90000
• LogP: 0.17130
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.05416083
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99%min ^*data from raw suppliers

Pyrimidine-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyrimidine-2-carbohydrazide

There total 6 articles about Pyrimidine-2-carbohydrazide 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: 99.0%

pyrimidine-2-carboxylic acid methyl ester (34253-03-7) → 2-pyrimidinecarboxylic acid hydrazide (87362-28-5)

Guidance literature:

With hydrazine hydrate; In methanol; for 4h; Reflux;

DOI:10.1039/c4ob01874e

Reference yield: 98.0%

pyrimidine-2-carboxylic acid (31519-62-7) + pyrimidine-2-carboxylic acid methyl ester (34253-03-7) → 2-pyrimidinecarboxylic acid hydrazide (87362-28-5)

Guidance literature:

pyrimidine-2-carboxylic acid; With thionyl chloride; In methanol; at 20 ℃; for 24h; Inert atmosphere;

pyrimidine-2-carboxylic acid methyl ester; With hydrazine hydrate; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2019.111742

Reference yield: 88.0%

pyrimidine-2-carboxylic acid ethyl ester (42839-08-7) → 2-pyrimidinecarboxylic acid hydrazide (87362-28-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 30 ℃; for 14h;

upstream raw materials:

pyrimidine-2-carboxylic acid ethyl ester

2-cyanopyrimidine

pyrimidine-2-carboxylic acid methyl ester

pyrimidine-2-carboxylic acid

Refernces

• 1、 -. "HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS". Paragraph 0668; 0674. . Retrieved 2018/06/12.
• 2、 Kim, Mi-Sun,Buisson, Lauriane A.,Heathcote, Dean A.,Hu, Haipeng,Braddock, D. Christopher,Barrett, Anthony G. M.,Ashton-Rickardt, Philip G.,Snyder, James P.. "Approaches to design non-covalent inhibitors for human granzyme B (hGrB)". supporting information. p. 8952 - 8965. Retrieved 2015/02/19.