5,6-dimethylpyrazine-2-carboxylic Acid

Base Information

• Chemical Name: 5,6-dimethylpyrazine-2-carboxylic Acid
• CAS No.: 13515-06-5
• Molecular Formula: C7H8 N2 O2
• Molecular Weight: 152.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50456078
• Nikkaji Number: J2.297.689C
• Wikidata: Q82278285
• Mol file: 13515-06-5.mol

Synonyms:5,6-dimethylpyrazine-2-carboxylic Acid;13515-06-5;Pyrazinecarboxylic acid, 5,6-dimethyl- (8CI,9CI);5,6-DIMETHYL-2-PYRAZINECARBOXYLIC ACID;SCHEMBL702638;DTXSID50456078;HNFVMVJWZHNDNF-UHFFFAOYSA-N;MFCD03196496;5,6-dimethylpyrazine-2-carboxylicAcid;AB13799;DS-3535;5,6-dimethyl-pyrazine-2-carboxylic acid;CS-0059182;O11328;A926010

Chemical Property of 5,6-dimethylpyrazine-2-carboxylic Acid

Chemical Property:

• Melting Point: 182 °C
• Boiling Point: 318.9±37.0 °C(Predicted)
• PKA: 3.78±0.10(Predicted)
• PSA: 63.08000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 0.79160
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

5,6-Dimethylpyrazine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=C(N=C1C)C(=O)O
• Uses: 5,6-Dimethylpyrazine-2-carboxylic Acid is used in the synthetic preparation of pyrazine biosynthesis in Corynebacterium glutamicum.

Technology Process of 5,6-dimethylpyrazine-2-carboxylic Acid

There total 5 articles about 5,6-dimethylpyrazine-2-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: 90.0%

2,3,5-trimethylpyrazine (14667-55-1) → 5,6-Dimethylpyrazin-2-carbonsaeure (13515-06-5)

Guidance literature:

at 30 ℃; for 16h; Pseudomonas putida ATCC 33015;

Reference yield: 25.0%

2,3-diaminopropanoic acid hydrochloride (54897-59-5) + dimethylglyoxal (431-03-8) → 5,6-Dimethylpyrazin-2-carbonsaeure (13515-06-5)

Guidance literature:

With oxygen; sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1002/ejoc.201000155

Reference yield:

2,3-diaminopropanoic acid (515-94-6) + dimethylglyoxal (431-03-8) → 5,6-Dimethylpyrazin-2-carbonsaeure (13515-06-5)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Heating / reflux;

upstream raw materials:

2,3,5-trimethylpyrazine

2,3-diaminopropanoic acid

dimethylglyoxal

2,3-diaminopropanoic acid hydrochloride

Downstream raw materials:

5,6-dimethyl-pyrazine-2-carboxylic acid ethylamide

methyl 5,6-dimethylpyrazinecarboxylate

ethyl 5,6-dimethylpyrazine-2-carboxylate

Refernces

• 1、 Fang, Kang,Zhang, Xiao-Hua,Han, Yao-Tian,Wu, Gao-Rong,Cai, De-Sheng,Xue, Nan-Nan,Guo, Wen-Bo,Yang, Yu-Qin,Chen, Meng,Zhang, Xin-Yu,Wang, Hui,Ma, Tao,Wang, Peng-Long,Lei, Hai-Min. "Design, synthesis, and cytotoxic analysis of novel hederagenin–pyrazine derivatives based on partial least squares discriminant analysis". . . Retrieved 2018/10/20.
• 2、 -. "Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof". Page/Page column 53. . Retrieved 2008/06/13.