4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde

Base Information

• Chemical Name: 4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde
• CAS No.: 338393-48-9
• Molecular Formula: C11H8ClNO2S
• Molecular Weight: 253.70500
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20376996
• Wikidata: Q82165994
• Mol file: 338393-48-9.mol

Synonyms:338393-48-9;4-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde;4-((2-Chlorothiazol-5-yl)methoxy)benzaldehyde;4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-benzenecarbaldehyde;4-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzenecarbaldehyde;SCHEMBL4842646;DTXSID20376996;BNYUJVFLCKATAC-UHFFFAOYSA-N;MFCD01568788;AKOS005069807;CS-0332809;1P-013

Chemical Property of 4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde

Chemical Property:

• Melting Point: 107-108°C
• PSA: 67.43000
• LogP: 3.18800
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.9964274
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzenecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OCC2=CN=C(S2)Cl

Technology Process of 4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde

There total 1 articles about 4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde 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: 95.7%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + α-Cl-β-thiazolyl chloride (105827-91-6) → 4-((2-chlorothiazol-5-yl)methoxy)benzaldehyde (338393-48-9)

Guidance literature:

With potassium carbonate; In ethanol; for 6h; Reflux;

DOI:10.1016/j.bmcl.2010.04.027

Reference yield: 91.0%

4-((2-chlorothiazol-5-yl)methoxy)benzaldehyde (338393-48-9) → 4-((2-chlorothiazol-5-yl)methoxy)benzyl alcohol (320423-67-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.04.027

Reference yield:

4-((2-chlorothiazol-5-yl)methoxy)benzaldehyde (338393-48-9) → C23H21ClN4O3S (1620883-58-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium tetrahydroborate / ethanol / 3 h / 0 - 20 °C

2: thionyl chloride / dichloromethane / 12.5 h / 0 - 20 °C

3: potassium carbonate / acetonitrile / Reflux

With sodium tetrahydroborate; thionyl chloride; potassium carbonate; In ethanol; dichloromethane; acetonitrile;

DOI:10.1016/j.cclet.2014.06.011

upstream raw materials:

4-hydroxy-benzaldehyde

α-Cl-β-thiazolyl chloride

Downstream raw materials:

4-((2-chlorothiazol-5-yl)methoxy)benzyl alcohol

C₂₃H₂₁ClN₄O₃S

C₂₄H₂₃ClN₄O₃S

C₂₇H₂₉ClN₄O₃S