3-(1-Aminoethyl)benzoic acid hydrochloride

Base Information

• Chemical Name: 3-(1-Aminoethyl)benzoic acid hydrochloride
• CAS No.: 165949-85-9
• Molecular Formula: C₉H₁₁NO₂*ClH
• Molecular Weight: 201.653
• DSSTox Substance ID: DTXSID10695986
• Mol file: 165949-85-9.mol

Synonyms:3-(1-Aminoethyl)benzoic acid hydrochloride;165949-85-9;3-(1-AMINO-ETHYL)-BENZOIC ACID HYDROCHLORIDE;Benzoic acid, 3-(1-aminoethyl)-, hydrochloride (1:1);3-(1-aminoethyl)benzoic acid;hydrochloride;3-(1-AMINOETHYL)BENZOIC ACID HCL;SCHEMBL506171;DTXSID10695986;JNHHIGNEAULTBO-UHFFFAOYSA-N;SB34141;3-(1-Aminoethyl)benzoicacidhydrochloride;AS-77637;CS-0154115;F53645;3-(1-Aminoethyl)benzoic acid--hydrogen chloride (1/1)

Chemical Property of 3-(1-Aminoethyl)benzoic acid hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Amino-ethyl)-benzoicacidhydrochloride 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1-Aminoethyl)benzoic acid hydrochloride

There total 1 articles about 3-(1-Aminoethyl)benzoic 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: 94.0%

3-(1-(hydroxyimino)ethyl)benzoic acid → 3-(1-aminoethyl)benzoic acid hydrochloride (1391437-37-8,165949-85-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium 10% on activated carbon; In ethanol; water; for 6h; under 2068.65 Torr;

Reference yield: 62.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + 3-(1-aminoethyl)benzoic acid hydrochloride (1391437-37-8,165949-85-9) → 3-<1'-<(tert-butyloxycarbonyl)amino>ethyl>benzoic acid (165949-84-8,193150-14-0)

Guidance literature:

With triethylamine; In water; acetone; at 20 ℃; for 16h;

Downstream raw materials:

3-<1'-<(tert-butyloxycarbonyl)amino>ethyl>benzoic acid