4-(Hydroxymethyl)-2-isopropylthiazole

Base Information

• Chemical Name: 4-(Hydroxymethyl)-2-isopropylthiazole
• CAS No.: 133047-45-7
• Molecular Formula: C7H11NOS
• Molecular Weight: 157.23
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80441331
• Wikidata: Q82258077
• Mol file: 133047-45-7.mol

Synonyms:133047-45-7;4-(Hydroxymethyl)-2-isopropylthiazole;(2-Isopropylthiazol-4-yl)methanol;(2-propan-2-yl-1,3-thiazol-4-yl)methanol;4-Thiazolemethanol, 2-(1-methylethyl)-;4-Thiazolemethanol,2-(1-methylethyl)-(9CI);(2-isopropyl-1,3-thiazol-4-yl)methanol;SCHEMBL2439238;DTXSID80441331;DRSAHDPLRNPPMJ-UHFFFAOYSA-N;4-hydroxymehtyl-2-isopropylthiazole;4-hydroxymehtyl-2-isopropyl thiazole;MFCD09870064;AKOS010748941;AS-46671;CS-0132515;FT-0685431;[2-(propan-2-yl)-1,3-thiazol-4-yl]methanol;E10103;W-205418

Chemical Property of 4-(Hydroxymethyl)-2-isopropylthiazole

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 252.657 °C at 760 mmHg
• PKA: 13.20±0.10(Predicted)
• Flash Point: 106.603 °C
• PSA: 61.36000
• Density: 1.156 g/cm³
• LogP: 1.75880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.05613515
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% or more ^*data from raw suppliers

4-(Hydroxymethyl)-2-isopropylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC(=CS1)CO

Technology Process of 4-(Hydroxymethyl)-2-isopropylthiazole

There total 5 articles about 4-(Hydroxymethyl)-2-isopropylthiazole 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: 69.0%

2-isopropyl-thiazole-4-carboxylic acid ethyl ester (133047-44-6) → ethyl (2-isopropylthiazol-4-yl)methanol (133047-45-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; toluene; at 0 ℃; for 3h;

DOI:10.1021/jm970636+

Reference yield: 56.0%

thioisobutyramide (13515-65-6) + C6H11BrO3 → ethyl (2-isopropylthiazol-4-yl)methanol (133047-45-7)

Guidance literature:

With sodium sulfate; for 3h; Reagent/catalyst; Reflux;

Reference yield:

thioisobutyramide (13515-65-6) + C6H10Br2O2 → ethyl (2-isopropylthiazol-4-yl)methanol (133047-45-7)

Guidance literature:

With magnesium sulfate; at 35 - 40 ℃; for 3h;

upstream raw materials:

2-isopropyl-thiazole-4-carboxylic acid ethyl ester

thioisobutyramide

Downstream raw materials:

2-isopropyl-4-chloromethylthiazole

2-isopropyl-4-thiazolecarboxaldehyde

(4-(hydroxymethyl)-2-isopropylthiazolyl)methyl 4-nitrophenyl carbonate

Refernces

• 1、 -. "A 2 - isopropyl -4 - (methyl amino methyl) thiazole synthesis method (by machine translation)". Paragraph 0028; 0029; 0030. . Retrieved 2017/05/10.
• 2、 Kempf, Dale J.,Sham, Hing L.,Marsh, Kennan C.,Flentge, Charles A.,Betebenner, David,Green, Brian E.,McDonald, Edith,Vasavanonda, Sudthida,Saldivar, Ayda,Wideburg, Norman E.,Kati, Warren M.,Ruiz, Lisa,Zhao, Chen,Fino, Lynnmarie,Patterson, Jean,Molla, Akhteruzzaman,Plattner, Jacob J.,Norbeck, Daniel W.. "Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy". . p. 602 - 617. Retrieved 2007/10/03.