4-Phenyl-1,3-thiazole-2-carbaldehyde

Base Information

• Chemical Name: 4-Phenyl-1,3-thiazole-2-carbaldehyde
• CAS No.: 75390-44-2
• Molecular Formula: C10H7 N O S
• Molecular Weight: 189.238
• Hs Code.: 2934100090
• European Community (EC) Number: 821-914-3
• DSSTox Substance ID: DTXSID20393446
• Wikidata: Q82192217
• Mol file: 75390-44-2.mol

Synonyms:4-Phenylthiazole-2-carbaldehyde;75390-44-2;4-phenyl-1,3-thiazole-2-carbaldehyde;4-PHENYL-THIAZOLE-2-CARBALDEHYDE;2-formyl-4-phenylthiazole;SCHEMBL2224538;4-phenyl-2-thiazolecarboxaldehyde;DTXSID20393446;DJWIXPPOXVIXSZ-UHFFFAOYSA-N;BBL020795;MFCD02665589;STK893485;AKOS001476298;AB12112;4-phenyl-1,3-thiazole-2-carboxaldehyde;AS-60499;BB 0249283;CS-0156391;FT-0691870;EN300-65675;D82945;4-phenyl-1,3-thiazole-2-carbaldehyde, AldrichCPR;A838399;Z1021388612

Chemical Property of 4-Phenyl-1,3-thiazole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 3.26E-05mmHg at 25°C
• Refractive Index: 1.645
• Boiling Point: 365.6°C at 760 mmHg
• Flash Point: 174.9°C
• PSA: 58.20000
• Density: 1.269g/cm³
• LogP: 2.62260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.02483502
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

4-phenyl-1,3-thiazole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)C=O

Technology Process of 4-Phenyl-1,3-thiazole-2-carbaldehyde

There total 5 articles about 4-Phenyl-1,3-thiazole-2-carbaldehyde 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: 94.0%

2-hydroxymethyl-4-phenylthiazole (65384-99-8) → 4-Phenyl-2-Thiazolecarboxaldehyde (75390-44-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield:

(4-phenylthiazol-2-yl)methyl benzoate (110704-59-1) → 4-Phenyl-2-Thiazolecarboxaldehyde (75390-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic KOH

2: Na₂Cr₂O₇; acetic acid

With potassium hydroxide; sodium dichromate; acetic acid;

DOI:10.1021/ja01355a040

Reference yield:

2-ethoxymethyl-4-phenyl-thiazole (858009-07-1) → 4-Phenyl-2-Thiazolecarboxaldehyde (75390-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄

2: Na₂Cr₂O₇; acetic acid

With sodium dichromate; sulfuric acid; acetic acid;

DOI:10.1021/ja01355a040

upstream raw materials:

2-hydroxymethyl-4-phenylthiazole

2-ethoxymethyl-4-phenyl-thiazole

(4-phenylthiazol-2-yl)methyl benzoate

ethyl 4-phenyl-1,3-thiazole-2-carboxylate

Downstream raw materials:

(E)-1-Benzoyl-2-(4-phenyl-thiazolyl-2)-oxiran

methyl 3-[4-([(2-nitrophenyl)sulfonyl]{4-[[(4-phenyl-1,3-thiazol-2-yl)methyl](propyl)amino]benzyl}amino)phenyl]propanoate

(4-{[(1E)-(4-phenyl-1,3-thiazol-2-yl)methylene]amino}phenyl)methanol

(2S,3aS,7aS)-3a,7a-dimethyl-2-{[(4-phenyl-thiazol-2-ylmethyl)-amino]-methyl}-octahydro-indole-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF". Page/Page column 114. . Retrieved 2011/12/14.