2-(Aminomethyl)phenylacetic acid hydrochloride

Base Information

• Chemical Name: 2-(Aminomethyl)phenylacetic acid hydrochloride
• CAS No.: 52067-92-2
• Molecular Formula: C9H11NO2^.HCl
• Molecular Weight: 201.653
• Hs Code.: 2922499990
• European Community (EC) Number: 257-635-3
• DSSTox Substance ID: DTXSID00200048
• ChEMBL ID: CHEMBL535644
• Mol file: 52067-92-2.mol

Synonyms:52067-92-2;2-(AMINOMETHYL)PHENYLACETIC ACID HYDROCHLORIDE;2-(2-(aminomethyl)phenyl)acetic acid hydrochloride;(2-(Aminomethyl)phenyl)acetic acid hydrochloride;2-[2-(aminomethyl)phenyl]acetic acid;hydrochloride;2-[2-(aminomethyl)phenyl]acetic acid hydrochloride;EINECS 257-635-3;(2-(Aminomethyl)phenyl)acetic acid HCl;CHEMBL535644;[2-(aminomethyl)phenyl]acetic acid hydrochloride;2-AMINOMETHYLPHENYL ACETIC ACID HYDROCHLORIDE;SCHEMBL6136173;DTXSID00200048;LLGULXJQFZWSCT-UHFFFAOYSA-N;AKOS022173232;SB77886;o-aminomethylphenylacetic acid hydrochloride;2-(2-(Aminomethyl)Phenyl)Acetic Acid HCl;2-(Aminomethyl)-benzeneacetate hydrochloride;FT-0640044;2-(2-(aminomethyl)phenyl)aceticacidhydrochloride;A828910

Chemical Property of 2-(Aminomethyl)phenylacetic acid hydrochloride

Chemical Property:

• Melting Point: 188-190 °C
• Boiling Point: 328 °C at 760 mmHg
• Flash Point: 152.2 °C
• PSA: 63.32000
• LogP: 2.27470
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-(Aminomethyl)phenyl)aceticacidhydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Aminomethyl)phenylacetic acid hydrochloride

There total 2 articles about 2-(Aminomethyl)phenylacetic acid 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%

1,4-dihydro-3(2H)-isoquinolinone (24331-94-0) → 2-[2-(aminomethyl)-phenyl]acetic acid hydrochloride (52067-92-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.bmcl.2007.10.060

Reference yield:

3-isoquinolinol (7651-81-2,134434-31-4) → 2-[2-(aminomethyl)-phenyl]acetic acid hydrochloride (52067-92-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 20 °C

2: hydrogenchloride; water / 24 h / 90 °C

With hydrogenchloride; palladium 10% on activated carbon; water; hydrogen; In methanol;

DOI:10.1002/ejoc.201801134

upstream raw materials:

1,4-dihydro-3(2H)-isoquinolinone

3-isoquinolinol

Refernces

• 1、 Clift, Michael D.,Silverman, Richard B.. "Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase". . p. 3122 - 3125. Retrieved 2008/12/22.