Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-

Base Information

• Chemical Name: Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-
• CAS No.: 71576-05-1
• Molecular Formula: C13H11 Cl N2 O3 S
• Molecular Weight: 310.761
• DSSTox Substance ID: DTXSID90221803
• Wikidata: Q83099787
• ChEMBL ID: CHEMBL2023251
• Mol file: 71576-05-1.mol

Synonyms:71576-05-1;Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-;F 1683;4-((4-(4-Chlorophenyl)thiazol-2-yl)amino)-4-oxobutanoic acid;Acide N(p-chlorophenyl-4 thiazolyl-2) succinamique [French];4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)-4-oxobutanoic acid;4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid;Acide N(p-chlorophenyl-4 thiazolyl-2) succinamique;4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid;3-[[4-(4-CHLOROPHENYL)-1,3-THIAZOL-2-YL]CARBAMOYL]PROPANOIC ACID;3-{[4-(4-CHLOROPHENYL)-1,3-THIAZOL-2-YL]CARBAMOYL}PROPANOIC ACID;starbld0019342;Oprea1_453813;Oprea1_473709;CHEMBL2023251;DTXSID90221803;STK422138;AKOS002682321;SB83219;LS-46197;EU-0048044

Chemical Property of Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-

Chemical Property:

• PSA: 111.02000
• Density: 1.479g/cm³
• LogP: 3.91630
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 310.0178911
• Heavy Atom Count: 20
• Complexity: 362

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CCC(=O)O)Cl

Technology Process of Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo-

There total 3 articles about Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo- 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: 72.5%

C14H13ClN2O3S (905405-03-0) → 3-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}propanoic acid (71576-05-1)

Guidance literature:

C₁₄H₁₃ClN₂O₃S; With sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2.5h;

With hydrogenchloride; In 1,4-dioxane; water;

DOI:10.1016/j.ejmech.2012.03.006

Reference yield:

4-(4-chlorophenyl)-2-thiazolamine (2103-99-3) → 3-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}propanoic acid (71576-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / chloroform / 24 h

2: sodium hydroxide / 1,4-dioxane / 2.5 h / 60 °C

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In 1,4-dioxane; chloroform;

DOI:10.1016/j.ejmech.2012.03.006

Reference yield:

para-chloroacetophenone (99-91-2) → 3-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}propanoic acid (71576-05-1)

Guidance literature:

Multi-step reaction with 4 steps

1: copper(ll) bromide / ethanol; chloroform; ethyl acetate / 0.5 h / 65 °C

2: ethanol / 2 h / Reflux

3: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / chloroform / 24 h

4: sodium hydroxide / 1,4-dioxane / 2.5 h / 60 °C

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; copper(ll) bromide; In 1,4-dioxane; ethanol; chloroform; ethyl acetate;

DOI:10.1016/j.ejmech.2012.03.006

upstream raw materials:

C₁₄H₁₃ClN₂O₃S

4-(4-chlorophenyl)-2-thiazolamine

para-chloroacetophenone

Downstream raw materials:

N¹-(4-(4-chlorophenyl)thiazol-2-yl)-N⁴-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl)succinamide

Refernces