4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)

Base Information

• Chemical Name: 4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)
• CAS No.: 234445-61-5
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• Mol file: 234445-61-5.mol

Synonyms:2-(2-Propyl)thiazole-4-carboxylicacid;2-Isopropylthiazole-4-carboxylic acid;

Chemical Property of 4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 297.66 °C at 760 mmHg
• PKA: 4.16±0.10(Predicted)
• Flash Point: 133.82 °C
• PSA: 78.43000
• Density: 1.271 g/cm³
• LogP: 1.96470
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Isopropylthiazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Isopropylthiazole-4-carboxylic Acid is a chemical reactant used in the preparation of new M3 muscarinic antagonists. Also used in the novel synthesis of Cystothiazole C which is a potential antifungal agent.

Technology Process of 4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)

There total 3 articles about 4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI) 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:

methyl 2-isopropylthiazole-4-carboxylate (336193-96-5) → 2-isopropyl-1,3-thiazol-4-carboxylic acid (234445-61-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c4ob01460j

Reference yield:

C8H13N3O3S → 2-isopropyl-1,3-thiazol-4-carboxylic acid (234445-61-5)

Guidance literature:

Multi-step reaction with 3 steps

1: triphenylphosphine / dichloromethane / 5 h / Inert atmosphere; Reflux

2: 1,8-diazabicyclo[5.4.0]undec-7-ene; Bromotrichloromethane / 0.83 h / 20 °C / Inert atmosphere

3: sodium hydroxide; water / methanol / 2 h / 0 °C / Inert atmosphere

With Bromotrichloromethane; water; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; sodium hydroxide; In methanol; dichloromethane;

DOI:10.1039/c4ob01460j

Reference yield:

(4R)-methyl 2-isopropyl-4,5-dihydrothiazole-4-carboxylate → 2-isopropyl-1,3-thiazol-4-carboxylic acid (234445-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene; Bromotrichloromethane / 0.83 h / 20 °C / Inert atmosphere

2: sodium hydroxide; water / methanol / 2 h / 0 °C / Inert atmosphere

With Bromotrichloromethane; water; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In methanol;

DOI:10.1039/c4ob01460j

upstream raw materials:

methyl 2-isopropylthiazole-4-carboxylate

Downstream raw materials:

C₂₂H₂₈ClN₃O₂S

C₂₂H₂₈ClN₃O₂S

C₂₂H₂₈ClN₃O₂S

C₂₂H₂₉N₃O₂S