Azepan-2-ylmethanol

Base Information

• Chemical Name: Azepan-2-ylmethanol
• CAS No.: 19168-71-9
• Molecular Formula: C₇H₁₅NO
• Molecular Weight: 129.202
• European Community (EC) Number: 852-187-0
• Mol file: 19168-71-9.mol

Synonyms:azepan-2-ylmethanol;2-azepanylmethanol;19168-71-9;(Azepan-2-yl)methanol;SDCCGMLS-0064726.P001;Oprea1_311144;2-hydroxymethylhexahydroazepine;SCHEMBL5482526;HMS1581H08;MFCD00457605;AKOS013410816;AT33153;BS-37433;CS-0235058;FT-0773720;EN300-152417

Chemical Property of Azepan-2-ylmethanol

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 75.3

Purity/Quality:

95-99% ^*data from raw suppliers

azepan-2-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(NCC1)CO

Technology Process of Azepan-2-ylmethanol

There total 4 articles about Azepan-2-ylmethanol 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:

C7H13NO → 2-hydroxymethyl-tetrahydro-1H-azepinone (19168-71-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 48h; under 760.051 Torr;

Reference yield:

7-carboethoxy-tetrahydro-2(3H)-azepinone (38167-88-3) → 2-hydroxymethyl-tetrahydro-1H-azepinone (19168-71-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Heating;

DOI:10.1021/jm990330y

Reference yield:

→ 2-hydroxymethyl-tetrahydro-1H-azepinone (19168-71-9)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

7-carboethoxy-tetrahydro-2(3H)-azepinone

Downstream raw materials:

1-[(4-methoxyphenyl)sulfonyl]-2-hydroxymethyl-hexahydro-1H-azepine-2-carboxylic acid

1-[(4-methoxyphenyl)sulfonyl]-2-hydroxymethyl-hexahydro-1H-azepine

Refernces

• 1、 -. "2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2". Page/Page column 28. . Retrieved 2010/02/11.
• 2、 Almstead, Neil G.,Bradley, Rimma S.,Pikul, Stanislaw,De, Biswanath,Natchus, Michael G.,Taiwo, Yetunde O.,Gu, Fei,Williams, Lisa E.,Hynd, Barbara A.,Janusz, Michael J.,Dunaway, C. Michelle,Mieling, Glen E.. "Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors". . p. 4547 - 4562. Retrieved 2007/10/03.