4-Chloro-1-(2-thienyl)butan-1-one

Base Information

• Chemical Name: 4-Chloro-1-(2-thienyl)butan-1-one
• CAS No.: 43076-59-1
• Molecular Formula: C8H9ClOS
• Molecular Weight: 188.678
• Hs Code.: 2934999090
• European Community (EC) Number: 256-076-2
• DSSTox Substance ID: DTXSID10195678
• Nikkaji Number: J267.322C
• Wikidata: Q83068705
• Mol file: 43076-59-1.mol

Synonyms:43076-59-1;4-Chloro-1-(2-thienyl)butan-1-one;4-Chloro-2'-butyrothienone;4-chloro-1-(thiophen-2-yl)butan-1-one;4-chloro-1-thiophen-2-ylbutan-1-one;gamma-Chloro-2-butyrothienone;3-CHLOROPROPYL 2-THIENYL KETONE;1-Butanone, 4-chloro-1-(2-thienyl)-;.gamma.-Chloro-2-butyrothienone;3-Chloropropyl 2-thienyl tetone;4-Chloro-2'-butyrothienone, 97%;EINECS 256-076-2;4-Chloro-1-(2-thienyl)-1-butanone;4-chloro-1-thiophen-2-yl-butan-1-one;4-Chlorobutyrothiophene;2-(4-Chlorobutanoyl)thiophene;SCHEMBL2209532;3-chloropropyl-2-thienyl ketone;DTXSID10195678;AMY32213;BBL027526;MFCD00005447;STL370310;4-chloro-1-(2-thienyl)-butan-1-on;AKOS001320996;4-Chloro-1-(2-thienyl)-1-butanone #;VS-08559;CS-0317834;FT-0617968;A826139;J-640129;J-800133;Z56347456;F0001-1186

Chemical Property of 4-Chloro-1-(2-thienyl)butan-1-one

Chemical Property:

• Appearance/Colour: clear gold to dark coloured liquid
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 313.6 °C at 760 mmHg
• Flash Point: 143.5 °C
• PSA: 45.31000
• Density: 1.218
• LogP: 2.94980
• Storage Temp.: 0-6°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 188.0062638
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-1-(thiophen-2-yl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)CCCCl

Technology Process of 4-Chloro-1-(2-thienyl)butan-1-one

There total 9 articles about 4-Chloro-1-(2-thienyl)butan-1-one 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: 89.0%

thiophen-2-yl magnesium bromide (5713-61-1) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-chloro-1-(thien-2-yl)-1-butanone (43076-59-1)

Guidance literature:

4-Chlorobutanoyl chloride; With 1-methyl-pyrrolidin-2-one; In toluene; at 0 ℃; for 0.5h;

thiophen-2-yl magnesium bromide; In tetrahydrofuran; toluene; at -10 - -5 ℃; for 4.25h; chemoselective reaction;

DOI:10.1039/c1ob05780d

Reference yield: 68.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-chloro-1-(thien-2-yl)-1-butanone (43076-59-1)

Guidance literature:

iron silicate; at 25 ℃;

DOI:10.1016/j.tetlet.2007.05.065

Reference yield: 19.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 4-Chlorobutanoyl chloride (4635-59-0) → C8H8Cl2S + 4-chloro-1-(thien-2-yl)-1-butanone (43076-59-1)

Guidance literature:

iron silicate; at 25 ℃;

DOI:10.1016/j.tetlet.2007.05.065

upstream raw materials:

thiophene

4-Chlorobutanoyl chloride

thiophen-2-yl magnesium bromide

N-Methyl-N-methoxy-4-chlorobutanamide

Downstream raw materials:

cyclopropyl(2-thienyl)methanone

2-(3-bromo-2-thienyl)-2-(2-thienyl)tetrahydrofuran

C₂₅H₂₉N₇O₂S₂

C₁₅H₁₃N₃O₂S