(S)-4-(1-AMINOETHYL)BENZOIC ACID

Base Information

• Chemical Name: (S)-4-(1-AMINOETHYL)BENZOIC ACID
• CAS No.: 222714-33-2
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Mol file: 222714-33-2.mol

Synonyms:4-((1S)-1-Aminoethyl)benzoicacid

Chemical Property of (S)-4-(1-AMINOETHYL)BENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Boiling Point: 317°C at 760 mmHg
• PKA: 4.02±0.10(Predicted)
• Flash Point: 145.5°C
• PSA: 63.32000
• Density: 1.186g/cm³
• LogP: 2.10480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-(1-Amino-ethyl)-benzoicacid 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-4-(1-AMINOETHYL)BENZOIC ACID

There total 1 articles about (S)-4-(1-AMINOETHYL)BENZOIC ACID 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:

(S)-4-(1-acetamidoethyl)benzoic acid → 4-[(1S)-1-aminoethyl]benzoic acid (222714-33-2)

Guidance literature:

Reference yield: 88.0%

benzyl chloroformate (501-53-1,94274-21-2) + 4-[(1S)-1-aminoethyl]benzoic acid (222714-33-2) → (S)-4-[1-(benzyloxycarbonylamino)ethyl]benzoic acid (847729-00-4,173898-15-2)

Guidance literature:

benzyl chloroformate; 4-[(1S)-1-aminoethyl]benzoic acid; With sodium hydroxide; In water; at 20 ℃;

With hydrogenchloride; In water; pH=1;

Reference yield:

4-[(1S)-1-aminoethyl]benzoic acid (222714-33-2) → tert-butyl 4-{(1S)-1-[({5-chloro-2-[3-(1,3-thiazol-2-yl)phenoxy]pyridin-3-yl}carbonyl)amino]ethyl}benzoate

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium hydroxide / water / 20 °C

1.2: pH 1

2.1: N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate / ISOPROPYLAMIDE / 24 h / 55 °C

3.1: hydrogen; acetic acid / palladium 10% on activated carbon / ethanol / 2 h / 20 °C

4.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane

5.1: BEMP / toluene / 5 h / 110 °C

With sodium hydroxide; BEMP; N-benzyl-N,N,N-triethylammonium chloride; hydrogen; potassium carbonate; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium 10% on activated carbon; In ethanol; dichloromethane; ISOPROPYLAMIDE; water; toluene;

Downstream raw materials:

(S)-4-[1-(benzyloxycarbonylamino)ethyl]benzoic acid

4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester

C₂₃H₃₀N₂O₅

tert-butyl 4-[(1S)-1-aminoethyl]benzoate

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