2-(n-Heptanoyl)thiophene

Base Information

• Chemical Name: 2-(n-Heptanoyl)thiophene
• CAS No.: 30711-40-1
• Molecular Formula: C11H16 O S
• Molecular Weight: 196.313
• Hs Code.: 2934999090
• UNII: 95SA3Y3JSV
• DSSTox Substance ID: DTXSID40184737
• Nikkaji Number: J47.714A
• Wikidata: Q63392071
• Metabolomics Workbench ID: 48933
• Mol file: 30711-40-1.mol

Synonyms:2-(n-Heptanoyl)thiophene;30711-40-1;1-(thiophen-2-yl)heptan-1-one;2-Heptanoylthiophene;1-thiophen-2-ylheptan-1-one;1-(2-Thienyl)-1-heptanone;1-Heptanone, 1-(2-thienyl)-;2-(Heptanoyl)thiophene;95SA3Y3JSV;UNII-95SA3Y3JSV;1-thiophen-2-yl-1-heptanone;2-(Heptanoyl)thiophene, 95%;SCHEMBL3183371;1-Thiophen-2-yl-heptan-1-one;1-(2-Thienyl)-1-heptanone #;DTXSID40184737;CHEBI:166499;1-(thiophen-2-yl)-heptan-1-one;MFCD00052588;AKOS009158795;CS-W010586;AS-59234;FT-0608877;E79063;A820578;Q63392071

Chemical Property of 2-(n-Heptanoyl)thiophene

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Refractive Index: 1.5210
• Boiling Point: 154-156°C 15mm
• Flash Point: 154-156°C/15mm
• PSA: 45.31000
• Density: 1.026
• LogP: 3.90120
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 196.09218630
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

1-Thiophen-2-yl-heptan-1-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)C1=CC=CS1

Technology Process of 2-(n-Heptanoyl)thiophene

There total 7 articles about 2-(n-Heptanoyl)thiophene 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: 81.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + Se-methyl heptaneselenoate (67132-63-2) → 2-thienyl hexyl ketone (30711-40-1)

Guidance literature:

With copper (I) trifluoromethane sulfonate benzene; In benzene; for 0.333333h; Ambient temperature;

DOI:10.1021/ja00522a079

Reference yield: 81.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + Se-methyl 1-propanecarboselenoate (101821-90-3) → 2-thienyl hexyl ketone (30711-40-1)

Guidance literature:

With <(CF3SO3Cu)2PhH>; calcium carbonate; In benzene; for 0.333333h; Ambient temperature;

DOI:10.1016/S0040-4020(01)96721-3

Reference yield:

thiophene (188290-36-0,8014-23-1,25233-34-5) + Heptanoic acid chloride (2528-61-2) → 2-thienyl hexyl ketone (30711-40-1)

Guidance literature:

With Petroleum ether; Behandeln mit Aluminiumchlorid;

upstream raw materials:

thiophene

Heptanoic acid chloride

Se-methyl heptaneselenoate

Se-methyl 1-propanecarboselenoate

Downstream raw materials:

palmitic acid

2-thiophenylcarboxylic acid

hexanoic acid

oenanthic acid

Refernces

• 1、 Kozikowski, Alan P.,Ames, Anthony. "DIMETHYLALUMINIUM METHANESELENOLATE - A USEFUL REAGENT FOR THE PREPARATION OF SELENOESTERS. A NEW FRIEDEL-CRAFTS ACYLATION PROCEDURE PROMOTED BY Cu(I)". . p. 4821 - 4834. Retrieved 2007/10/02.