Methyl 2-(1-aminocyclohexyl)acetate

Base Information

• Chemical Name: Methyl 2-(1-aminocyclohexyl)acetate
• CAS No.: 178242-64-3
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• Hs Code.: 2922499990
• European Community (EC) Number: 676-109-8
• DSSTox Substance ID: DTXSID60444289
• Mol file: 178242-64-3.mol

Synonyms:Methyl 2-(1-aminocyclohexyl)acetate;178242-64-3;(1-Amino-cyclohexyl)-acetic acid methyl ester;methyl (1-aminocyclohexyl)acetate;MFCD07784119;methyl (1-aminocyclohexyl)acetate hydrochloride;methyl2-(1-aminocyclohexyl)acetate;SCHEMBL2311427;DTXSID60444289;RLMHBOGYHKMLFN-UHFFFAOYSA-N;BBL030851;STL373326;AKOS006286648;AS-38053;SY031120;(1-Aminocyclohexyl)acetic acid methyl ester;A3955;CS-0200079;FT-0646960;EN300-97844;Q-102243;Z1198174940;methyl 2-(1-aminocyclohexyl)acetate;(1-AMINO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER

Chemical Property of Methyl 2-(1-aminocyclohexyl)acetate

Chemical Property:

• Vapor Pressure: 0.072mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 228.877 °C at 760 mmHg
• Flash Point: 95.994 °C
• PSA: 52.32000
• Density: 1.007 g/cm³
• LogP: 1.91140
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

methyl2-(1-aminocyclohexyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1(CCCCC1)N

Technology Process of Methyl 2-(1-aminocyclohexyl)acetate

There total 6 articles about Methyl 2-(1-aminocyclohexyl)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: 92.0%

methanol (67-56-1) + 1-aza-spiro[3.5]nonan-2-one (24571-98-0) → (1-amino-cyclohexyl)-acetic acid methyl ester (178242-64-3)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1248/cpb.46.1116

Reference yield: 52.0%

methanol (67-56-1) + ethyl cyclohexylideneacetate (1552-92-7) → methyl 2-cyclohexylideneacetate (40203-74-5) + C-Cyclohexyliden-acetamid (934-86-1) + (1-amino-cyclohexyl)-acetic acid methyl ester (178242-64-3) + α-aminocyclohexylacetamide (178242-60-9)

Guidance literature:

With ammonia; at 140 ℃; for 13h;

DOI:10.1080/00397919808005943

Reference yield:

methanol (67-56-1) + cis-amino-cyclohexaneacetic acid (37631-92-8) → (1-amino-cyclohexyl)-acetic acid methyl ester (178242-64-3)

Guidance literature:

With thionyl chloride; at 40 ℃;

upstream raw materials:

methanol

ethyl cyclohexylideneacetate

1-aza-spiro[3.5]nonan-2-one

methyl 2-cyclohexylideneacetate

Downstream raw materials:

methyl 2-(1-dimethylamino-1-cyclohexyl)acetate

{1-[3-(1,4-dimethyl-3H-indol-3-ylmethyl)-2-oxo-2,3-dihydro-benzimidazol-1-yl]-cyclohexyl}-acetic acid methyl ester

{1-[3-(1,4-dimethyl-1H-indol-3-ylmethyl)-2-oxo-2,3-dihydro-benzimidazol-1-yl]-cyclohexyl}-acetic acid

[1-(2-oxo-2,3-dihydro-benzimidazol-1-yl)-cyclohexyl]-acetic acid methyl ester