(4-Methyl-1,3-thiazol-2-yl)methanol

Base Information

• Chemical Name: (4-Methyl-1,3-thiazol-2-yl)methanol
• CAS No.: 13750-63-5
• Molecular Formula: C5H7NOS
• Molecular Weight: 129.183
• Hs Code.: 2934100090
• European Community (EC) Number: 691-817-7
• DSSTox Substance ID: DTXSID10590760
• Wikidata: Q72491263
• Mol file: 13750-63-5.mol

Synonyms:13750-63-5;(4-methylthiazol-2-yl)methanol;(4-methyl-1,3-thiazol-2-yl)methanol;2-Thiazolemethanol, 4-methyl-;2-(Hydroxymethyl)-4-methyl-1,3-thiazole;MFCD08236826;2-Thiazolemethanol,4-methyl-;4-Methyl-2-thiazolemethanol;2-Hydroxymethyl-4-Methylthiazole;(4-Methyl-thiazol-2-yl)-methanol;SCHEMBL475767;DTXSID10590760;CQMPPPAHJBQCOY-UHFFFAOYSA-N;AKOS005173589;AB44110;PS-4437;4-methyl-5-(beta-hydroxymethyl)thiazole;SY072455;CS-0109629;EN300-93466;(4-methyl-1,3-thiazol-2-yl)methanol, AldrichCPR;W-205502;Z1037609598

Chemical Property of (4-Methyl-1,3-thiazol-2-yl)methanol

Chemical Property:

• Vapor Pressure: 0.05mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 225.026 °C at 760 mmHg
• PKA: 13.00±0.10(Predicted)
• Flash Point: 89.893 °C
• PSA: 61.36000
• Density: 1.263g/cm³
• LogP: 0.94380
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.02483502
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99.0%Min ^*data from raw suppliers

2-(Hydroxymethyl)-4-methyl-1,3-thiazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)CO

Technology Process of (4-Methyl-1,3-thiazol-2-yl)methanol

There total 8 articles about (4-Methyl-1,3-thiazol-2-yl)methanol 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: 100.0%

4-methyl-thiazole-2-carbaldehyde (13750-68-0) → (4-methylthiazol-2-yl)-methanol (13750-63-5)

Guidance literature:

4-methyl-thiazole-2-carbaldehyde; With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.75h;

With water; ammonium chloride; Product distribution / selectivity;

Reference yield: 60.0%

4-Methylthiazol-2-carbonsaeure-ethylester (7210-73-3) → (4-methylthiazol-2-yl)-methanol (13750-63-5)

Guidance literature:

4-Methylthiazol-2-carbonsaeure-ethylester; With lithium borohydride; In tetrahydrofuran; for 18h; Heating / reflux;

With water; In tetrahydrofuran; at 20 ℃; Product distribution / selectivity;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) → (4-methylthiazol-2-yl)-methanol (13750-63-5)

Guidance literature:

4-Methylthiazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃;

With lithium aluminium tetrahydride; water; ammonium chloride; more than 3 stages;

upstream raw materials:

formaldehyd

4-methyl-thiazole-2-yllithium

4-methyl-thiazole-2-carbaldehyde

4-Methylthiazol-2-carbonsaeure-ethylester

Downstream raw materials:

(5-bromo-4-methyl-1,3-thiazol-2-yl)methanol

C₃₂H₃₂F₅N₃O₂S

C₂₅H₂₉F₂N₃O₂S

C₁₅H₁₈ClNS

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS". Paragraph 000367. . Retrieved 2019/04/16.
• 2、 Tokumaru, Kazuyuki,Ito, Yoshiteru,Nomura, Izumi,Nakahata, Takashi,Shimizu, Yuji,Kurimoto, Emi,Aoyama, Kazunobu,Aso, Kazuyoshi. "Design, synthesis, and pharmacological evaluation of 4-azolyl-benzamide derivatives as novel GPR52 agonists". . p. 3098 - 3115. Retrieved 2017/05/24.