4-Acetamidocyclohexyl acetate

Base Information

• Chemical Name: 4-Acetamidocyclohexyl acetate
• CAS No.: 90978-87-3
• Molecular Formula: C10H17NO3
• Molecular Weight: 199.25
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70572820
• Nikkaji Number: J2.134.247E
• Mol file: 90978-87-3.mol

Synonyms:4-Acetamidocyclohexyl acetate;90978-87-3;(4-acetamidocyclohexyl) acetate;N,O-DIACETYL-4-AMINOCYCLOHEXANOL;4-Acetamidocyclohexylacetate;SCHEMBL13885775;SCHEMBL17690621;DTXSID70572820;ZNRIHYSSRORILS-UHFFFAOYSA-N;trans-4-Acetamidocyclohexyl acetate;AKOS022172952;trans-4-Aminocyclohexanol, N,O-diacetyl;Acetic acid 4-acetylamino-cyclohexyl ester;Cyclohexanol, 4-amino-, trans-, N,O-diacetyl;A848585

Chemical Property of 4-Acetamidocyclohexyl acetate

Chemical Property:

• PSA: 58.89000
• LogP: 1.83710
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.12084340
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

4-Acetamidocyclohexylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCC(CC1)OC(=O)C

Technology Process of 4-Acetamidocyclohexyl acetate

There total 2 articles about 4-Acetamidocyclohexyl acetate 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: 97.0%

trans-4-hydroxycyclohexylamine (27489-62-9) + acetic anhydride (108-24-7) → trans-4-(acetylamino)cyclohexyl acetate (90978-87-3)

Guidance literature:

for 1h; Heating;

DOI:10.1002/jhet.5570370229

Reference yield:

benzyl (1S*3S*6R*)-7-oxabicyclo[4.1.0]heptan-3-ylcarbamate + acetic anhydride (108-24-7) → Acetic acid (1S,3R)-3-(acetyl-methyl-amino)-cyclohexyl ester + cis-4-acetamidocyclohexyl acetate (90978-87-3)

Guidance literature:

(7-oxa-bicyclo[4.1.0]hept-3-yl)-carbamic acid benzyl ester; With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 4.5h; atmospheric pressure;

acetic anhydride; With pyridine; at 20 ℃; for 40h; Title compound not separated from byproducts;

DOI:10.1016/j.tet.2004.11.037

Reference yield: 97.0%

trans-4-(acetylamino)cyclohexyl acetate (90978-87-3) → N-((trans)-4-hydroxycyclohexyl)acetamide (27489-60-7)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1002/jhet.5570370229

upstream raw materials:

trans-4-hydroxycyclohexylamine

acetic anhydride

Downstream raw materials:

N-((trans)-4-hydroxycyclohexyl)acetamide

N-(4-oxocyclohexyl)acetamide

(+/-)-N-(2-amino-5,6,7,8-tetrahydro-6-quinazolinyl)acetamide

Refernces

• 1、 Marinko, Petra,Obreza, Ales,Peterlin-Masic, Lucija,Krbavcic, Ales,Kikelj, Danijel. "Synthesis of 2-amino-7,8-dihydro-6(5H)-quinazolinone, 2,4-diamino-7,8- dihydro-6(5H)-quinazolinone, 5,6,7,8-tetrahydro-2,6-quinazolinediamine and 5,6,7,8-tetrahydro-2,4,6-quinazolinetriamine derivatives". . p. 405 - 409. Retrieved 2007/10/03.