5,6-Dimethoxynicotinic acid

Base Information

• Chemical Name: 5,6-Dimethoxynicotinic acid
• CAS No.: 76470-34-3
• Molecular Formula: C8H9NO4
• Molecular Weight: 183.16136
• Hs Code.: 2933399090
• European Community (EC) Number: 888-138-5
• DSSTox Substance ID: DTXSID50502665
• Wikidata: Q82355876
• Mol file: 76470-34-3.mol

Synonyms:5,6-Dimethoxynicotinic acid;76470-34-3;5,6-dimethoxypyridine-3-carboxylic acid;5,6-Dimethoxynicotinicacid;SCHEMBL7652014;DTXSID50502665;BDA47034;CS-B1178;MFCD12401642;AKOS006345804;SB52251;5,6-Dimethoxynicotinic acid, AldrichCPR;PS-13081;Y13488;EN300-1719721;A865477

Chemical Property of 5,6-Dimethoxynicotinic acid

Chemical Property:

• Boiling Point: 307.0±37.0 °C(Predicted)
• PKA: 3.62±0.10(Predicted)
• PSA: 68.65000
• Density: 1.279±0.06 g/cm3(Predicted)
• LogP: 0.79700
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dimethoxynicotinicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(N=CC(=C1)C(=O)O)OC

Technology Process of 5,6-Dimethoxynicotinic acid

There total 4 articles about 5,6-Dimethoxynicotinic 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: 73.0%

5,6-dimethoxypyridine-3-carbonitrile (1112851-31-6) → 5,6-dimethoxynicotinic acid (76470-34-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 90 ℃; for 16h;

Reference yield:

2,3-dimethoxypyridine (52605-97-7) → 5,6-dimethoxynicotinic acid (76470-34-3)

Guidance literature:

Multi-step reaction with 3 steps

1: bromine / dichloromethane / 48 h / 20 °C

2: N,N-dimethyl-formamide / 8 h / 160 °C / Inert atmosphere

3: sodium hydroxide / ethanol / 16 h / 90 °C

With bromine; sodium hydroxide; In ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

5-bromo-2,3-dimethoxypyridine (52605-98-8) → 5,6-dimethoxynicotinic acid (76470-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 8 h / 160 °C / Inert atmosphere

2: sodium hydroxide / ethanol / 16 h / 90 °C

With sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

2,3-dimethoxypyridine

5-bromo-2,3-dimethoxypyridine

5,6-dimethoxypyridine-3-carbonitrile

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