Ethyl 4-(aminomethyl)benzoate hydrochloride

Base Information

• Chemical Name: Ethyl 4-(aminomethyl)benzoate hydrochloride
• CAS No.: 6232-12-8
• Molecular Formula: C10H13 N O2 . Cl H
• Molecular Weight: 215.68
• European Community (EC) Number: 802-145-2
• DSSTox Substance ID: DTXSID20585561
• NSC Number: 400150
• Mol file: 6232-12-8.mol

Synonyms:ethyl 4-(aminomethyl)benzoate hydrochloride;6232-12-8;Ethyl 4-(aminomethyl)benzoate HCl;ethyl 4-(aminomethyl)benzoate;hydrochloride;MFCD00859552;Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1;SCHEMBL367399;DTXSID20585561;KMZNTLYGVGINKN-UHFFFAOYSA-N;AMY41402;NSC400150;AKOS024015333;CS-W001858;NSC-400150;SB22865;ethyl4-(aminomethyl)benzoatehydrochloride;AS-71142;SY178424;4-(Aminomethyl)benzoic acid ethyl ester HCl;EN300-52595;F52658;4-Aminomethylbenzoic acid-ethylester hydrochloride;4-Aminomethyl-benzoic acid ethyl ester hydrochloride;Ethyl 4-(aminomethyl)benzoate--hydrogen chloride (1/1);Benzoicacid,4-(aminomethyl)-,ethylester,hydrochloride(1:1);Benzoic acid,4-(aminomethyl)-,ethyl ester,hydrochloride (1;1)

Chemical Property of Ethyl 4-(aminomethyl)benzoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Boiling Point: 293.9°C at 760 mmHg
• Flash Point: 150.6°C
• PSA: 52.32000
• Density: 1.093g/cm³
• LogP: 2.82430
• 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: 215.0713064
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(aminomethyl)benzoatehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)CN.Cl

Technology Process of Ethyl 4-(aminomethyl)benzoate hydrochloride

There total 1 articles about Ethyl 4-(aminomethyl)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%

p-aminomethylbenzoic acid (56-91-7) + ethanol (64-17-5) → p-(Aminometyl)benzoic acid ethyl ester hydrochloride (6232-12-8)

Guidance literature:

With hydrogenchloride; In water; Reflux;

DOI:10.1016/j.ejmech.2019.01.008

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + p-(Aminometyl)benzoic acid ethyl ester hydrochloride (6232-12-8) → 4-tert-butoxycarbonylaminomethylbenzoic acid ethyl ester (157311-42-7)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2019.01.008

Reference yield: 81.0%

carbon disulfide (75-15-0,12122-00-8) + p-(Aminometyl)benzoic acid ethyl ester hydrochloride (6232-12-8) → ethyl 4-(isothiocyanatomethyl)benzoate

Guidance literature:

carbon disulfide; p-(Aminometyl)benzoic acid ethyl ester 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

upstream raw materials:

p-aminomethylbenzoic acid

ethanol

Downstream raw materials:

4-(5-benzyl-6-thioxo-[1,3,5]thiadiazinan-3-ylmethyl)-benzoic acid ethyl ester

4-({[1-((1Z,4Z,9Z,15Z)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-porphyrin-5-yl)-meth-(E)-ylidene]-amino}-methyl)-benzoic acid ethyl ester

ethyl 4-<2-<<2-<5-chloro-2-(1-piperidinyl)phenyl>propanoyl>amino>methyl>benzoate

N,N-bis(p-ethyloxycarbonylbenzyl)amine

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