2-Ethylbutyryl chloride

Base Information

• Chemical Name: 2-Ethylbutyryl chloride
• CAS No.: 2736-40-5
• Deprecated CAS: 2137045-01-1
• Molecular Formula: C6H11ClO
• Molecular Weight: 134.606
• Hs Code.: 29159000
• European Community (EC) Number: 220-359-9
• NSC Number: 8757
• DSSTox Substance ID: DTXSID2062616
• Nikkaji Number: J41.155H
• Wikidata: Q72473437
• Mol file: 2736-40-5.mol

Synonyms:2-Ethylbutyryl chloride;2736-40-5;2-ethylbutanoyl chloride;2-Ethylbutyrylchloride;2-Ethylbutyroyl chloride;Butanoyl chloride, 2-ethyl-;Butyryl chloride, 2-ethyl-;2-ethyl-butyryl chloride;NSC 8757;EINECS 220-359-9;diethylacetylchloride;MFCD00018812;diethylacetyl chloride;2-ethyl butyryl chloride;2-ethyl butanoyl chloride;2-ethyl-n-butanoyl chloride;2-ethylbutyric acid chloride;SCHEMBL176693;2-Ethylbutyryl chloride, 97%;DTXSID2062616;NSC8757;NSC-8757;STR03106;AKOS009158642;FT-0612268;J-802080;W-109819;F2190-0017

Chemical Property of 2-Ethylbutyryl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 6.15mmHg at 25°C
• Refractive Index: n20/D 1.425(lit.)
• Boiling Point: 140.4 °C at 760 mmHg
• Flash Point: 41.1 °C
• PSA: 17.07000
• Density: 0.986 g/cm³
• LogP: 2.18800
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

98% ^*data from raw suppliers

2-Ethylbutyryl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)Cl
• Uses: 2-Ethylbutyryl chloride was used in syntheses of bicyclic thiophene derivatives.

Technology Process of 2-Ethylbutyryl chloride

There total 8 articles about 2-Ethylbutyryl chloride 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: 85.0%

2-Ethylbutanoic acid (88-09-5) → chlorure d'acide ethyl-2 butyrique (2736-40-5)

Guidance literature:

With thionyl chloride;

Reference yield:

2-Ethylbutanoic acid (88-09-5) + thionyl chloride (7719-09-7) → chlorure d'acide ethyl-2 butyrique (2736-40-5)

Guidance literature:

In dichloromethane; at 25 ℃; for 12h;

DOI:10.1021/jm901229s

Reference yield:

diethyl malonic acid (510-20-3) → chlorure d'acide ethyl-2 butyrique (2736-40-5)

Guidance literature:

Multi-step reaction with 2 steps

2: SOCl₂

With thionyl chloride;

upstream raw materials:

2-Ethylbutanoic acid

diethyl-malonic acid-monochloride

benzoyl chloride

phosphorus pentachloride

Downstream raw materials:

2-Ethyl-1-(4-methoxy-phenyl)-butan-1-one

2-ethyl-1,1-bis-(4-methoxy-phenyl)-but-1-ene

phenyl 2-ethylbutanoate

diethylmalonyl chloride

Refernces

• 1、 -. "SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS". Paragraph 0260-0261. . Retrieved 2021/05/15.
• 2、 Pan, Ping,Yan, Ming,Zeng, Jia,Zhang, Peng,Zhang, Xue-Jing. "Palladium-Catalyzed Migratory Insertion of Carbenes and C-C Cleavage of Cycloalkanecarboxamides". supporting information. . Retrieved 2022/01/20.