Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride

Base Information

• Chemical Name: Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride
• CAS No.: 76308-26-4
• Molecular Formula: C10H20ClNO2
• Molecular Weight: 221.727
• Hs Code.: 2922499990
• European Community (EC) Number: 820-406-9
• DSSTox Substance ID: DTXSID70504126
• Mol file: 76308-26-4.mol

Synonyms:76308-26-4;Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride;Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride;76308-13-9;ethyl 2-(4-aminocyclohexyl)acetate hydrochloride;ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride;1984061-85-9;Ethyl trans-2-(4-aminocyclohexyl)acetate, HCl;Ethyl 2-(cis-4-aminocyclohexyl)acetate hydrochloride;MFCD16660366;Ethyl cis-4-Amino-cyclohexaneacetate HCl;4-Aminocyclohexaneacetic acid ethyl ester HCl;Ethyl trans-2-(4-aminocyclohexyl)acetate HCl;Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride, trans-;SCHEMBL229869;SCHEMBL229870;2-Cyanomethyl-4-phenylthiazole;DTXSID70504126;KBMWRCPPPDEVSJ-JUAUBFSOSA-N;AMY20514;BCP30607;BDA30826;Cyclohexaneacetic acid, 4-amino-, ethyl ester, hydrochloride, cis-;AKOS015902463;AKOS025243573;AT26919;CS-11197;DS-17115;SY008639;CS-0008597;CS-0361400;E1374;FT-0737396;Ethyl 2-(trans-4-aminocyclohexyl)acetate HCl;ethyl2-(4-aminocyclohexyl)acetatehydrochloride;ETHYL 2-(4-AMINOCYCLOHEXYL)ACETATE HCL;F80446;P15634;ethyl(trans-4-aminocyclohexyl)acetate hydrochloride;ethyl (trans-4-aminocyclohexyl)acetate hydrochloride;ETHYL 2-[(1R,4R)-4-AMINOCYCLOHEXYL]ACETATE HCL;F2167-8217;Ethyl (4-aminocyclohexyl)acetate--hydrogen chloride (1/1);(trans-4-amino-cyclohexyl)-acetic acid ethyl ester hydrochloride;Trans-(4-Amino-cyclohexyl)-acetic acid ethyl ester hydrochloride;Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride pound>>trans-Ethyl 2-(4-aminocyclohexyl)acetate hydrochloride

Chemical Property of Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride

Chemical Property:

• Melting Point: 177 °C
• PSA: 52.32000
• LogP: 2.95940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.1182566
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Ethyltrans-2-(4-aminocyclohexyl)acetatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCC(CC1)N.Cl
• Uses: Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Technology Process of Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride

There total 4 articles about Ethyl trans-2-(4-aminocyclohexyl)acetate hydrochloride 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: 40.0%

ethanol (64-17-5) + 4-nitrobenzeneacetic acid (104-03-0) → ethyl 2-((1r,4r)-4-aminocyclohexyl)acetate hydrochloride (76308-26-4)

Guidance literature:

4-nitrobenzeneacetic acid; With hydrogen; palladium 10% on activated carbon; In water; at 44 - 58 ℃; Inert atmosphere; Autoclave; Industry scale;

ethanol; With hydrogenchloride; In water; Reflux; Industry scale;

Reference yield:

ethanol (64-17-5) + trans-4-aminocyclohexylacetic acid hydrochloride (76325-96-7,109572-36-3) → ethyl 2-((1r,4r)-4-aminocyclohexyl)acetate hydrochloride (76308-26-4)

Guidance literature:

hydrogenchloride; for 4h; Heating / reflux;

Reference yield:

ETHYL 4-NITROPHENYLACETATE (5445-26-1) → ethyl 2-((1r,4r)-4-aminocyclohexyl)acetate hydrochloride (76308-26-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1139 g / H₂, aq. NaOH / Raney Ni / 62.5 h / 20 - 130 °C / 91380.1 - 129701 Torr

2: HCl / 4 h / Heating

With hydrogenchloride; sodium hydroxide; hydrogen; nickel;

DOI:10.1021/jm9707378

upstream raw materials:

ethanol

4-nitrobenzeneacetic acid

trans-(4-amino-cyclohexyl)-acetic acid

ETHYL 4-NITROPHENYLACETATE

Downstream raw materials:

[4-(Pyrimidin-2-ylamino)-cyclohexyl]-acetic acid ethyl ester

[4-(2-Bromo-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine

2-[4-(Pyrimidin-2-ylamino)-cyclohexyl]-ethanol

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