2-(4-(2-Thiazolylamino)phenyl)propionic acid

Base Information

• Chemical Name: 2-(4-(2-Thiazolylamino)phenyl)propionic acid
• CAS No.: 57648-11-0
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.305
• DSSTox Substance ID: DTXSID40973244
• Mol file: 57648-11-0.mol

Synonyms:BRN 5562495;57648-11-0;2-(4-(2-Thiazolylamino)phenyl)propionic acid;alpha-Methyl-4-(2-thiazolylamino)benzeneacetic acid;Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-;SCHEMBL11667086;DTXSID40973244;LS-28959;2-{4-[(1,3-Thiazol-2-yl)amino]phenyl}propanoic acid

Chemical Property of 2-(4-(2-Thiazolylamino)phenyl)propionic acid

Chemical Property:

• Vapor Pressure: 4.65E-08mmHg at 25°C
• Boiling Point: 427.2°Cat760mmHg
• Flash Point: 212.2°C
• Density: 1.357g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)NC2=NC=CS2)C(=O)O

Technology Process of 2-(4-(2-Thiazolylamino)phenyl)propionic acid

There total 3 articles about 2-(4-(2-Thiazolylamino)phenyl)propionic 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:

2-Methyl-2-(4-thioureido-phenyl)-malonic acid diethyl ester + chloroacetaldehyde diethyl acetal (621-62-5) → 2-<4-(2-thiazolylamino)phenyl>propionic acid (57648-11-0)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 90 - 93 ℃; for 4h; Yield given;

DOI:10.1248/cpb.31.3424

Reference yield:

amino-4-phenyl methyl malonate d'ethyle (61881-50-3) → 2-<4-(2-thiazolylamino)phenyl>propionic acid (57648-11-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 85.6 percent / NH₄SCN / acetone / 1 h / Ambient temperature

2: 23.9 g / 10percent NaOH / 0.17 h / 98 °C

3: 20percent HCl / aq. propan-2-ol / 4 h / 90 - 93 °C

With hydrogenchloride; sodium hydroxide; ammonium thiocyanate; In isopropyl alcohol; acetone;

DOI:10.1248/cpb.31.3424

Reference yield:

2-[4-(3-Benzoyl-thioureido)-phenyl]-2-methyl-malonic acid diethyl ester (88975-48-8) → 2-<4-(2-thiazolylamino)phenyl>propionic acid (57648-11-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 23.9 g / 10percent NaOH / 0.17 h / 98 °C

2: 20percent HCl / aq. propan-2-ol / 4 h / 90 - 93 °C

With hydrogenchloride; sodium hydroxide; In isopropyl alcohol;

DOI:10.1248/cpb.31.3424

upstream raw materials:

chloroacetaldehyde diethyl acetal

amino-4-phenyl methyl malonate d'ethyle

2-[4-(3-Benzoyl-thioureido)-phenyl]-2-methyl-malonic acid diethyl ester