2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
• CAS No.: 180283-68-5
• Molecular Formula: C₈H₁₁N₃O₂
• Molecular Weight: 181.194
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30356603
• Nikkaji Number: J776.533I
• Wikidata: Q82136048
• ChEMBL ID: CHEMBL121279
• Mol file: 180283-68-5.mol

Synonyms:180283-68-5;2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid;2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid;2-(dimethylamino)-4-methyl-5-pyrimidinecarboxylic acid;Oprea1_644684;MLS000549581;CHEMBL121279;SCHEMBL13983005;DTXSID30356603;HMS2307M15;MFCD02942406;STK503392;AKOS000505923;CCG-131526;SB55593;LS-02018;SMR000113270;BB 0237712;FT-0720760;EN300-152966;AE-641/11702969;2-Dimethylamino-4-methyl-pyrimidine-5-carb oxylic acid;1-[(TERT-BUTYL)OXYCARBONYL]-3-(3,4-DICHLOROBENZYL)PIPERIDINE-3-CARBOXYLICACID

Chemical Property of 2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.18E-06mmHg at 25°C
• Boiling Point: 366.4°C at 760 mmHg
• PKA: 2.10±0.25(Predicted)
• Flash Point: 175.4°C
• PSA: 66.32000
• Density: 1.269g/cm³
• LogP: 0.54920
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 181.085126602
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

2-(dimethylamino)-4-methylpyrimidine-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC=C1C(=O)O)N(C)C

Technology Process of 2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid

There total 2 articles about 2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid 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: 66.0%

2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester (180283-47-0) → 2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid (180283-68-5)

Guidance literature:

With potassium hydroxide; In methanol; for 5h; Heating;

DOI:10.1021/jm9508649

Reference yield:

α-acetyl-α-(dimethylaminomethylene)acetic acid,ethyl ester (134653-70-6) → 2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid (180283-68-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium ethoxide / 1.) ethanol, RT, 2.) ethanol, reflux, 1 h

2: 66 percent / potassium hydroxide / methanol / 5 h / Heating

With potassium hydroxide; sodium ethanolate; In methanol;

DOI:10.1021/jm9508649

Reference yield: 73.0%

2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid (180283-68-5) → 2-dimethylamino-4-methylpyrimidine (99357-40-1)

Guidance literature:

for 5h; Heating;

DOI:10.1021/jm9508649

upstream raw materials:

2-Dimethylamino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester

α-acetyl-α-(dimethylaminomethylene)acetic acid,ethyl ester

Downstream raw materials:

2-dimethylamino-4-methylpyrimidine

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