Methyl 4-(2-aminoethyl)benzoate hydrochloride

Base Information

• Chemical Name: Methyl 4-(2-aminoethyl)benzoate hydrochloride
• CAS No.: 56161-89-8
• Molecular Formula: C10H14ClNO2
• Molecular Weight: 215.68
• Hs Code.: 2922499990
• European Community (EC) Number: 832-007-7
• DSSTox Substance ID: DTXSID70517514
• Mol file: 56161-89-8.mol

Synonyms:56161-89-8;methyl 4-(2-aminoethyl)benzoate hydrochloride;METHYL P-AMINOETHYLBENZOATE HCL;methyl 4-(2-aminoethyl)benzoate;hydrochloride;Methyl 4-(2-amino-ethyl)-benzoate, HCl;4-(2-Amino-ethyl)-benzoic acid methyl ester hydrochloride;Methyl 4-(2-amino-ethyl)-benzoate hydrochloride;MFCD08059241;Methyl 4-(2-Aminoethyl)benzoate HCl;4-(2-Aminoethyl)benzoic acid methyl ester HCl;METHYL 4-(2-AMINO-ETHYL)-BENZATE HYDROCHLORIDE;DTXSID70517514;HYBVWCPWTPZFQE-UHFFFAOYSA-N;AKOS008096077;CS-W003446;AS-38085;SY030011;FT-0728155;EN300-36219;methyl 4-(2-aminoethyl)-benzoate hydrochloride;2-(4-(Methoxycarbonyl)phenyl)ethanaminium chloride;A848753;4-(2-aminoethyl)-benzoic acid methyl ester-hydrochloride;Z367678640;Methyl 4-(2-amino-ethyl)-benzate hydrochloride, AldrichCPR;Methyl 4-(2-aminoethyl)benzoate--hydrogen chloride (1/1);8-(1-(6-methylpyridin-2-yl)ethyl)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]

Chemical Property of Methyl 4-(2-aminoethyl)benzoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Boiling Point: 292.8°C at 760 mmHg
• Flash Point: 149.7°C
• PSA: 52.32000
• LogP: 2.47670
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

Methyl4-(2-Aminoethyl)benzoateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)CCN.Cl

Technology Process of Methyl 4-(2-aminoethyl)benzoate hydrochloride

There total 7 articles about Methyl 4-(2-aminoethyl)benzoate 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: 100.0%

methanol (67-56-1) + 4-(2-amino-ethyl)-benzoic acid hydrochloride (60531-36-4) → 4-(2-aminoethyl)-benzoic acid methyl ester-hydrochloride (56161-89-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; Heating / reflux;

Reference yield: 97.0%

methyl 4-[2-(tert-butoxycarbonylamino)ethyl]benzoate (177736-04-8) → 4-(2-aminoethyl)-benzoic acid methyl ester-hydrochloride (56161-89-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane;

Reference yield: 84.0%

methyl 4-(cyanomethyl)benzoate (76469-88-0) → 4-(2-aminoethyl)-benzoic acid methyl ester-hydrochloride (56161-89-8)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.1c01155

upstream raw materials:

methyl 4-(cyanomethyl)benzoate

Methyl 4-(bromomethyl)benzoate

methyl 4-[2-(tert-butoxycarbonylamino)ethyl]benzoate

methanol

Downstream raw materials:

methyl 4-[2-({(2S)-5-{[(benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]pentanoyl}amino)ethyl]benzoate

methyl 4-[N-(tert-butoxycarbonyl)aminomethyl]benzoate

4-(2-<2-ethoxy-5-chloro-benzamido>-ethyl)-benzoic acid methyl ester

4-(2-<5-chloro-2-phenoxy-benzamido>-ethyl)-benzoic acid methyl ester