2-Thiazolecarboxaldehyde

Base Information

• Chemical Name: 2-Thiazolecarboxaldehyde
• CAS No.: 10200-59-6
• Molecular Formula: C4H3NOS
• Molecular Weight: 113.14
• Hs Code.: 29349990
• European Community (EC) Number: 688-154-0
• DSSTox Substance ID: DTXSID70370565
• Nikkaji Number: J256.554D
• Wikidata: Q27462131
• Mol file: 10200-59-6.mol

Synonyms:2-Thiazolecarboxaldehyde;10200-59-6;1,3-thiazole-2-carbaldehyde;thiazole-2-carbaldehyde;2-Formylthiazole;2-formyl thiazole;Thiazole-2-carboxaldehyde;Thiazolecarboxaldehyde;1,3-THIAZOLE-2-CARBOXALDEHYDE;MFCD00142924;2-KETOTHIAZOLE;2-thiazolecarbaldehyde;2-thiazolecaboxaldehyde;thiazol-2-carbaldehyde;thiazol-2-carboxaldehyde;2-thiazole-carboxaldehyde;SCHEMBL28811;2-Thiazolecarboxaldehyde, 97%;SCHEMBL2008395;2-THIAZOLE CARBOXALDEHYDE;DTXSID70370565;ZGTFNNUASMWGTM-UHFFFAOYSA-N;STR04048;GEO-02295;STL583918;TD8063;AKOS005169182;CS-W002420;PB12109;PS-3722;AC-33308;BP-12619;SY005879;AM20070674;F0303;FT-0601076;EN300-66987;A19535;W-200068;Q27462131;InChI=1/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3

Chemical Property of 2-Thiazolecarboxaldehyde

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.187mmHg at 25°C
• Refractive Index: n20/D 1.574(lit.)
• Boiling Point: 218.3 °C at 760 mmHg
• PKA: 0.44±0.10(Predicted)
• Flash Point: 85.8 °C
• PSA: 58.20000
• Density: 1.288 g/cm³
• LogP: 0.95560
• Storage Temp.: Refrigerator (+4°C)
• Water Solubility.: soluble
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.99353489
• Heavy Atom Count: 7
• Complexity: 76.1

Purity/Quality:

99% ^*data from raw suppliers

2-Formylthiazole >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26-23-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)C=O
• Uses: 2-Thiazolecarboxaldehyde is a useful building block for taxane analogs.

Technology Process of 2-Thiazolecarboxaldehyde

There total 15 articles about 2-Thiazolecarboxaldehyde 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%

2-Dibromomethylthiazole (134271-22-0) → Thiazole-2-carbaldehyde (10200-59-6)

Guidance literature:

With silver nitrate; In ethanol; for 0.25h; Heating;

DOI:10.1016/S0040-4020(01)87090-3

Reference yield: 99.0%

2-bromo-1,3-thiazole (3034-53-5,215777-74-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → Thiazole-2-carbaldehyde (10200-59-6)

Guidance literature:

2-bromo-1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -78 - -70 ℃; for 0.333333h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -65 - 20 ℃; for 3h;

With hydrogenchloride; In diethyl ether; hexane; water; at 0 ℃;

Reference yield: 99.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) → Thiazole-2-carbaldehyde (10200-59-6)

Guidance literature:

2-bromo-1,3-thiazole; With n-butyllithium; In diethyl ether; hexane; at -78 - -70 ℃; for 1.33333h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -65 - -40 ℃; for 3h;

upstream raw materials:

2-thiazolylamine

formaldoxime

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

thiazole-2-carboxamide

Downstream raw materials:

(E)-2-phenyl-3-(2-thiazolyl)acrylic acid

(Z)-2-phenyl-3-(2-thiazolyl)acrylic acid

3-thiazol-2-yl-acrylic acid

di(1,3-thiazol-2-yl) ketone

Refernces

• 1、 Schaumburg. "-". . p. 1146. Retrieved 1971.
• 2、 Meier, Herbert,Nicklas, Frank,Petermann, Ralf. "Conjugated compounds based on vinylthiazole units". . p. 1525 - 1529. Retrieved 2007.
• 3、 -. "INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF". Paragraph 00539. . Retrieved 2018/07/05.
• 4、 -. "HIV INTEGRASE INHIBITORS". . . Retrieved 2015/09/22.