Benzoic acid, 3-amino-, ethyl ester, hydrochloride

Base Information

Chemical Name:Benzoic acid, 3-amino-, ethyl ester, hydrochloride
CAS No.:50930-41-1
Molecular Formula:C9H11NO2.ClH
Molecular Weight:201.653
Hs Code.:
UNII:YN380NNA9P
DSSTox Substance ID:DTXSID3068598
Wikidata:Q27294599
Mol file:50930-41-1.mol

Synonyms:ethyl m-aminobenzoate methanesulfonate;Metacaine;MS-222;MS222 compound;tricaine;tricaine hydrochloride;tricaine methane sulfonate (CH3SO4)

Suppliers and Price of Benzoic acid, 3-amino-, ethyl ester, hydrochloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Benzoic acid, 3-amino-, ethyl ester, hydrochloride

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:201.0556563
Heavy Atom Count:13
Complexity:159

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC(=CC=C1)N.Cl

Technology Process of Benzoic acid, 3-amino-, ethyl ester, hydrochloride

There total 3 articles about Benzoic acid, 3-amino-, ethyl ester, 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: 88.0%

: 618-98-4
ethyl 3-nitrobenzoate

: 50930-41-1
3-aminobenzoic acid ethyl ester hydrochloride

Guidance literature:: ethyl 3-nitrobenzoate; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In diethyl ether; dichloromethane;
DOI:10.1002/ejoc.202100073

Reference yield: 80.0%

: 64-17-5
ethanol

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 50930-41-1
3-aminobenzoic acid ethyl ester hydrochloride

Guidance literature:: With thionyl chloride; for 12h; Heating;
DOI:10.1016/S0040-4020(01)01106-1

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 50930-41-1
3-aminobenzoic acid ethyl ester hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 6 h / Schlenk technique; Inert atmosphere; Reflux

2: C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; hydrogen / ethanol / 15 h / 120 °C / 30003 Torr / Autoclave

With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol;
DOI:10.1002/ejoc.202100073