Ethyl 6-(hydroxymethyl)nicotinate

Base Information

• Chemical Name: Ethyl 6-(hydroxymethyl)nicotinate
• CAS No.: 35005-81-3
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70567473
• Nikkaji Number: J919.997G
• Wikidata: Q82453363
• Mol file: 35005-81-3.mol

Synonyms:Ethyl 6-(hydroxymethyl)nicotinate;35005-81-3;ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;6-Hydroxymethyl-nicotinic acid ethyl ester;MFCD12131130;Ethyl6-(hydroxymethyl)nicotinate;3-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester;Ethyl 6-hydroxymethylnicotinate;SCHEMBL2772711;DTXSID70567473;RDSGPHNFOMPILP-UHFFFAOYSA-N;AKOS015838698;AS-5214;SB52670;SY232889;O11808;A874802;F2167-1141

Chemical Property of Ethyl 6-(hydroxymethyl)nicotinate

Chemical Property:

• PSA: 59.42000
• LogP: 0.75060
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

Ethyl6-(Hydroxymethyl)nicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C(C=C1)CO

Technology Process of Ethyl 6-(hydroxymethyl)nicotinate

There total 1 articles about Ethyl 6-(hydroxymethyl)nicotinate 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:

6-acetoxymethyl-nicotinic acid ethyl ester (91134-19-9) → sodium ethanolate (141-52-6) + ethyl 6-(hydroxy-methyl)-pyrid-3-yl-carboxylate (35005-81-3)

Guidance literature:

With sodium; acetic acid; In tetrachloromethane; ethanol; chloroform;

Reference yield: 86.0%

1,1-Diphenylmethanol (91-01-0) + ethyl 6-(hydroxy-methyl)-pyrid-3-yl-carboxylate (35005-81-3) → ethyl 6-(diphenyl-methyloxymethyl)-nicotinate (203791-36-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Heating;

DOI:10.1016/j.ejmech.2004.03.006

Reference yield: 75.0%

benzyl bromide (100-39-0) + ethyl 6-(hydroxy-methyl)-pyrid-3-yl-carboxylate (35005-81-3) → ethyl 2-benzyloxymethyl-5-pyridinecarboxylate (552299-74-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1021/jm020572p

upstream raw materials:

6-acetoxymethyl-nicotinic acid ethyl ester

Downstream raw materials:

ethyl 6-(diphenyl-methyloxymethyl)-nicotinate

6-(chloromethyl)-3-pyridinecarboxylic acid ethyl ester

ethyl 2-benzyloxymethyl-5-pyridinecarboxylate

ethyl 6-formyl-pyridine-3-carboxylate