4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER
• CAS No.: 80051-07-6
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• Mol file: 80051-07-6.mol

Synonyms:(R)-methyl 3-hydroxydecanoate;Methyl (R)-3-Hydroxydecanoate;D-3-Hydroxy-caprinsaeure-methylester;D-3-Hydroxy-decansaeure-methylester;(R)-3-Hydroxy-decanoic Acid Methyl Ester;(R)-3-Hydroxy-decansaeure-methylester;methyl 3(R)-hydroxy-decanoate;

Chemical Property of 4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER

Chemical Property:

• Boiling Point: 281.5±15.0 °C(Predicted)
• PKA: 8?+-.0.10(Predicted)
• PSA: 52.32000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 2.19320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(1-aminoethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER

There total 6 articles about 4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER 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: 75.0%

methyl 4-acetylbenzoate (3609-53-8) + methylamine hydrochloride (593-51-1) + methylamine (74-89-5) → 4-carbomethoxy-α-methylbenzylamine (80051-07-6)

Guidance literature:

With methanol; sodium cyanoborohydride; In tetrahydrofuran; at 65 ℃; for 16h;

Reference yield: 71.0%

methyl 4-(1-azidoethyl)benzoate → 4-carbomethoxy-α-methylbenzylamine (80051-07-6)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 17h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b00398

Reference yield:

methyl 4-(1-(hydroxyimino)ethyl)benzoate (74733-31-6) → 4-carbomethoxy-α-methylbenzylamine (80051-07-6)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h; under 2585.81 Torr; Inert atmosphere;

upstream raw materials:

methyl 4-acetylbenzoate

methylamine hydrochloride

methylamine

4-(1-bromoethyl)-benzoic acid

Downstream raw materials:

[4-(1-aminoethyl)phenyl]methanol

methyl 4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate

tert-butyl (1-(4-(hydroxymethyl)phenyl)ethyl)carbamate

methyl 4-acetylbenzoate