2,5-Dimethylthiophene-3-carbaldehyde

Base Information

• Chemical Name: 2,5-Dimethylthiophene-3-carbaldehyde
• CAS No.: 26421-44-3
• Molecular Formula: C7H8OS
• Molecular Weight: 140.206
• Hs Code.: 2934999090
• European Community (EC) Number: 675-442-6
• DSSTox Substance ID: DTXSID70376426
• Nikkaji Number: J2.721.862H
• Wikidata: Q82165357
• Mol file: 26421-44-3.mol

Synonyms:2,5-dimethylthiophene-3-carbaldehyde;26421-44-3;2,5-Dimethyl-thiophene-3-carbaldehyde;2,5-dimethylthiophene-3-carboxaldehyde;2,5-dimethyl-3-formylthiophene;2,5-dimethyl-3-thiophenecarbaldehyde;2,5-dimethyl-3-thiophenecarboxaldehyde;SCHEMBL1834958;DTXSID70376426;BBA42144;BBL039889;MFCD03426895;STK349491;AKOS000307380;DS-7493;2,5-dimethyl-thiophene-3-carboxaldehyde;3-Thiophenecarboxaldehyde, 2,5-dimethyl;3-Thiophenecarboxaldehyde, 2,5-dimethyl-;BB 0259568;CS-0068031;FT-0600557;EN300-55116;D70135;A818436;2,5-Dimethylthiophene-3-carboxaldehyde, AldrichCPR;Z336080308

Chemical Property of 2,5-Dimethylthiophene-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 218 °C at 760 mmHg
• Flash Point: 86 °C
• PSA: 45.31000
• Density: 1.138 g/cm³
• LogP: 2.17740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.02958605
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

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

2,5-Dimethylthiophene-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(S1)C)C=O

Technology Process of 2,5-Dimethylthiophene-3-carbaldehyde

There total 15 articles about 2,5-Dimethylthiophene-3-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: 72.0%

3-bromo-2,5-dimethylthiophene (31819-37-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethyl-thiophene-3-carbaldehyde (26421-44-3)

Guidance literature:

3-bromo-2,5-dimethylthiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/d0cc05429a

Reference yield: 65.0%

2,5-DIMETHYLTHIOPHENE (638-02-8) + dichloromethyl n-butyl ether (5312-73-2) → 2,5-dimethyl-thiophene-3-carbaldehyde (26421-44-3)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at 10 ℃;

Reference yield: 60.0%

2,5-DIMETHYLTHIOPHENE (638-02-8) + Dichloromethyl methyl ether (4885-02-3) → 2,5-dimethyl-thiophene-3-carbaldehyde (26421-44-3)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 5 ℃; for 2h;

DOI:10.1007/s11172-005-0382-5

upstream raw materials:

2,5-DIMETHYLTHIOPHENE

N-methyl-N-phenylformamide

2,5-dimethylthiophene-3-carbonyl chloride

3-thiophene carboxaldehyde

Downstream raw materials:

3c-(2,5-dimethyl-[3]thienyl)-2-(4-fluoro-phenyl)-acrylonitrile

bis-(4-dimethylamino-phenyl)-(2,5-dimethyl-[3]thienyl)-methane

Refernces

• 1、 Yasui, Takeshi,Kikuchi, Tomohiro,Yamamoto, Yoshihiko. "Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules". . p. 12865 - 12868. Retrieved 2020/11/02.
• 2、 -. "ANTIBACTERIAL COMPOUNDS AND USES THEREOF". Paragraph 0067. . Retrieved 2017/09/28.