2-Chlorothiazole-5-carbaldehyde

Base Information

• Chemical Name: 2-Chlorothiazole-5-carbaldehyde
• CAS No.: 95453-58-0
• Molecular Formula: C4H2ClNOS
• Molecular Weight: 147.585
• Hs Code.: 2934100090
• European Community (EC) Number: 689-744-0
• DSSTox Substance ID: DTXSID30363170
• Wikidata: Q72459747
• ChEMBL ID: CHEMBL2228159
• Mol file: 95453-58-0.mol

Synonyms:2-chlorothiazole-5-carbaldehyde;95453-58-0;2-chloro-1,3-thiazole-5-carbaldehyde;2-Chloro-1,3-thiazole-5-carboxaldehyde;2-CHLOROTHIAZOLE-5-CARBOXALDEHYDE;5-THIAZOLECARBOXALDEHYDE, 2-CHLORO-;CHEMBL2228159;MFCD01568717;2-CHLORO-5-THIAZOLECARBOXALDEHYDE;SCHEMBL360323;2-Chloro-thiazole-5-carbaldehyde;DTXSID30363170;2-CHLORO-5-FORMYLTHIAZOLE;BDBM50486234;AKOS005069245;CS-W001048;PB14244;AM804606;SY024025;(2-chloro-1,3-thiazol-5-yl)formaldehyde;FT-0679944;EN300-126064;10N-075;2-chloro-1,3-thiazole-5-carbaldehyde, AldrichCPR;J-509176;Z1201621106

Chemical Property of 2-Chlorothiazole-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00421mmHg at 25°C
• Melting Point: 85-88°C
• Refractive Index: 1.637
• Boiling Point: 278.6 °C at 760 mmHg
• PKA: -0.94±0.10(Predicted)
• Flash Point: 122.3 °C
• PSA: 58.20000
• Density: 1.541g/cm³
• LogP: 1.60900
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.9545626
• Heavy Atom Count: 8
• Complexity: 100

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-1,3-thiazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=N1)Cl)C=O

Technology Process of 2-Chlorothiazole-5-carbaldehyde

There total 3 articles about 2-Chlorothiazole-5-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: 73.0%

2-chlorothiazole (3034-52-4) + formic acid ethyl ester (109-94-4) → 2-chloro-1,3-thiazole-5-carbaldehyde (95453-58-0)

Guidance literature:

2-chlorothiazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

formic acid ethyl ester; In tetrahydrofuran; at -78 ℃; for 1h;

Reference yield: 62.0%

2-chlorothiazole (3034-52-4) → 2-chloro-1,3-thiazole-5-carbaldehyde (95453-58-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; ethyl acetate; N,N-dimethyl-formamide; Petroleum ether;

Reference yield:

2-chlorothiazole (3034-52-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-1,3-thiazole-5-carbaldehyde (95453-58-0)

Guidance literature:

With hydrogenchloride; n-butyllithium; Yield given. Multistep reaction; 1) hexane, THF, -78 deg C, 10 min., 2) THF, up to roomtemp., 2h;

upstream raw materials:

2-chlorothiazole

N,N-dimethyl-formamide

formic acid ethyl ester

Downstream raw materials:

2-(piperidin-1-yl)thiazole-5-carbaldehyde

2-(morpholin-4-yl)thiazole-5-carbaldehyde

2-(dimethylamino)thiazole-5-carbaldehyde

2-chloro-5-(hydroxymethyl)thiazole

Refernces

• 1、 -. "Dehydroamino acids". . . Retrieved 2008/06/13.