5-Chlorothiophene-2-carbaldehyde

Base Information

• Chemical Name: 5-Chlorothiophene-2-carbaldehyde
• CAS No.: 7283-96-7
• Molecular Formula: C5H3ClOS
• Molecular Weight: 146.597
• Hs Code.: 29124990
• European Community (EC) Number: 230-708-7
• UNII: DPU4RVB7PT
• DSSTox Substance ID: DTXSID6064614
• Nikkaji Number: J212.281B
• Wikidata: Q72459927
• Mol file: 7283-96-7.mol

Synonyms:7283-96-7;5-Chlorothiophene-2-carbaldehyde;5-Chloro-2-thiophenecarboxaldehyde;2-Chloro-5-thiophenecarboxaldehyde;5-Chlorothiophene-2-carboxaldehyde;2-Thiophenecarboxaldehyde, 5-chloro-;MFCD00047090;2-Chloro-5-formylthiophene;5-Chloro-2-formylthiophene;5-Chlorothiophene-2-aldehyde;DPU4RVB7PT;5-chloro-2-thiophenaldehyde;5-Chloro-2-thiophenecarbaldehyde;5-Chloro-2-thiophene-carboxaldehyde;EINECS 230-708-7;UNII-DPU4RVB7PT;SCHEMBL41212;5-chlorothiophenecarboxaldehyde;BIDD:GT0188;5-chlorothiophen-2 carbaldehyde;5-chlorothiophen-2-carbaldehyde;DTXSID6064614;2-chlorothiophene-5-carbaldehyde;5-chloro-2thiophenecarboxaldehyde;5-chlorothiophene-2-carboaldehyde;5-Chloro-thiophene-2-carbaldehyde;5-chloro thiophene-2-carboxaldehyde;5-chloro-2-thiophene carboxaldehyde;5-Chloro-2-thiophenecarbaldehyde #;5-chloro-thiophene-2-carboxaldehyde;AMY23290;STR06371;BBL037784;CL1306;GEO-00804;STL570488;AKOS000113250;CS-W002227;PB17085;PS-3576;5-Chloro-2-thiophenecarboxaldehyde, 97%;AC-23179;BP-13183;SY005588;C1722;FT-0620283;EN300-26159;J-640135;J-800139;W-200496;F1905-7165;Z220630970

Chemical Property of 5-Chlorothiophene-2-carbaldehyde

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.109mmHg at 25°C
• Refractive Index: n20/D 1.604(lit.)
• Boiling Point: 221.1 °C at 760 mmHg
• Flash Point: 87.5 °C
• PSA: 45.31000
• Density: 1.429 g/cm³
• LogP: 2.21400
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.9593136
• Heavy Atom Count: 8
• Complexity: 96.4

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-thiophenecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-43-36-36/37/38
• Safety Statements: 36-36/37/39-26-24-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(SC(=C1)Cl)C=O
• Uses: 5-Chloro-2-thiophenecarboxaldehyde is used in the evaluation of 2-benzylidene-1-tetralone derivative as antagonists of A1 and A2A adenosine receptors. 5-Chloro-2-thiophenecarboxaldehyde may be used for synthesis of 2-heteroaryl-α-methyl-5-benzoxazoleacetic acids and N,N′-bis[(E)-(5-chloro-2-thienyl)methylidene]ethane-1,2-diamine

Technology Process of 5-Chlorothiophene-2-carbaldehyde

There total 14 articles about 5-Chlorothiophene-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: 96.6%

2-thienyl chloride (96-43-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-Chloro-2-thiophenecarboxaldehyde (7283-96-7)

Guidance literature:

With trichlorophosphate; at 40 - 100 ℃; for 2h; Reagent/catalyst; Temperature;

Reference yield: 75.0%

2-chloro-5-methylthiophene (17249-82-0) → 5-Chloro-2-thiophenecarboxaldehyde (7283-96-7)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 100 ℃; for 8h; Cooling with ice;

DOI:10.3390/molecules23020252

Reference yield: 60.0%

2-Chloro-5-(chloromethyl)thiophene (23784-96-5) → 5-Chloro-2-thiophenecarboxaldehyde (7283-96-7)

Guidance literature:

With benzo[c]cinnoline; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1002/anie.201807134

upstream raw materials:

2-thienyl chloride

formaldehyd

N,N-dimethyl-formamide

N-methyl-N-phenylformamide

Downstream raw materials:

2-chloro-5-(2-nitro-vinyl)-thiophene

5-chloro-thiophene-2-carbaldehyde semicarbazone

(5-chloro-[2]thienyl)-bis-(4-dimethylamino-phenyl)-methane

5-chloro-thiophene-2-carbaldehyde-phenylhydrazone

Refernces

• 1、 Cai, Wenqing,Wu, Jingwei,Liu, Wei,Xie, Yafei,Liu, Yuqiang,Zhang, Shuo,Xu, Weiren,Tang, Lida,Wang, Jianwu,Zhao, Guilong. "Systematic structure-activity relationship (SAR) exploration of diarylmethane backbone and discovery of a highly potent novel uric acid transporter 1 (URAT1) inhibitor". . . Retrieved 2018/02/07.
• 2、 -. "Method for preparing 5-chlorothiophene-2-carboxylic acid through one-pot synthesis". Paragraph 0027-0028; 0030-0031. . Retrieved 2018/12/13.