trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride

Base Information

• Chemical Name: trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride
• CAS No.: 19878-18-3
• Molecular Formula: C10H20ClNO2
• Molecular Weight: 221.727
• European Community (EC) Number: 888-921-1
• ChEMBL ID: CHEMBL3084611
• Mol file: 19878-18-3.mol

Synonyms:19878-18-3;trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride;Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride;cis-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride;MFCD28134591;ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride;ethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride;Cyclohexanecarboxylic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1), trans-;trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate HCl;1191414-21-7;ZGOGVHCRASZRFV-UHFFFAOYSA-N;SCHEMBL1068668;CHEMBL3084611;SCHEMBL11075182;AKOS024462774;DS-7929;SY115037;Tranexamic Acid Ethyl Ester Hydrochloride;CS-0128633;D82916;EN300-1726286;A879961;(1r,4r)-ethyl 4-(aminomethyl)cyclohexanecarboxylate hcl;ethyl 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride;Ethyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride;4-Aminomethyl-Cyclohexanecarboxylic Acid Ethyl Ester Hydrochloride;trans-Ethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride;2089325-40-4

Chemical Property of trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 2.01490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

99% ^*data from raw suppliers

trans-Ethyl4-(aminomethyl)cyclohexanecarboxylatehydrochloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCC(CC1)CN.Cl

Technology Process of trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride

There total 1 articles about trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate 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: 96.0%

ethanol (64-17-5) + trans-4-aminomethyl-cyclohexyl-carboxylic acid (1197-18-8) → ethyl trans-4-(aminomethyl)cyclohexanecarboxylate hydrochloride (19878-18-3)

Guidance literature:

With thionyl chloride; at 0 - 70 ℃; for 1.16667h;

Reference yield: 92.0%

carbon disulfide (75-15-0,12122-00-8) + ethyl trans-4-(aminomethyl)cyclohexanecarboxylate hydrochloride (19878-18-3) → trans-ethyl 4-(isothiocyanatomethyl)cyclohexanecarboxylate

Guidance literature:

carbon disulfide; ethyl trans-4-(aminomethyl)cyclohexanecarboxylate hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h;

With 4‐(4,6‐dimethoxy‐1,3,5‐triazin‐2‐yl)‐4‐methylmorpholinium toluene‐4‐sulfonate; In dichloromethane; at 90 ℃; for 0.05h; Microwave irradiation;

DOI:10.3390/molecules26092740

Reference yield: 60.0%

ethyl trans-4-(aminomethyl)cyclohexanecarboxylate hydrochloride (19878-18-3) + 2-Bromoacetyl bromide (598-21-0) → trans-ethyl 4-((2-bromoacetamido)methyl)cyclohexanecarboxylate

Guidance literature:

With potassium carbonate; at 0 - 80 ℃; for 19h; Inert atmosphere;

DOI:10.1021/jm100966t

upstream raw materials:

ethanol

trans-4-aminomethyl-cyclohexyl-carboxylic acid

Downstream raw materials:

C₃₄H₅₇N₅O₁₂

C₂₄H₄₁N₅O₉

Refernces