2-Chlorobutyryl chloride

Base Information

• Chemical Name: 2-Chlorobutyryl chloride
• CAS No.: 7623-11-2
• Molecular Formula: C4H6 Cl2 O
• Molecular Weight: 140.997
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID10997573
• Nikkaji Number: J1.007.831H
• Mol file: 7623-11-2.mol

Synonyms:2-CHLOROBUTYRYL CHLORIDE;7623-11-2;2-chlorobutanoyl chloride;Butanoyl chloride, 2-chloro-;2-CHLOROBUTYRYLCHLORIDE;2-chloro-butyryl chloride;chlorobutyric chloride;alpha-chlorobutyroylchloride;alpha-chlorobutyryl chloride;alpha-chlorobutanoyl chloride;SCHEMBL501721;DTXSID10997573;STL453678;AKOS005206913

Chemical Property of 2-Chlorobutyryl chloride

Chemical Property:

• Vapor Pressure: 9.68mmHg at 25°C
• Refractive Index: 1.4510
• Boiling Point: 138-140°C
• Flash Point: 138-140°C
• PSA: 17.07000
• Density: 1,236 g/cm3
• LogP: 1.76920
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.9795702
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-CHLOROBUTYRYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)Cl)Cl
• Uses: 2-Chlorobutyryl chloride is used as a pharmaceutical intermediate.

Technology Process of 2-Chlorobutyryl chloride

There total 7 articles about 2-Chlorobutyryl 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:

carbon monoxide (201230-82-2) + cyclopropane (75-19-4) → 3-chlorobutanoyl chloride (1951-11-7) + phenylpropane (103-65-1) + 2-chlorobutyryl chloride (7623-11-2) + 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

With palladium dichloride; In benzene; at 90 ℃; for 20h; under 11400 Torr; Yield given. Yields of byproduct given;

DOI:10.1021/jo01289a027

Reference yield:

carbon monoxide (201230-82-2) + cyclopropane (75-19-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-chlorobutanoyl chloride (1951-11-7) + phenylpropane (103-65-1) + 2-chlorobutyryl chloride (7623-11-2) + 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

With palladium dichloride; In benzene; at 90 ℃; for 20h; under 11400 Torr; Yield given. Yields of byproduct given;

DOI:10.1021/jo01289a027

Reference yield:

tetrachloromethane (56-23-5) + sulfuryl dichloride (7791-25-5) + butyryl chloride (141-75-3) + dibenzoyl peroxide (94-36-0) → 3-chlorobutanoyl chloride (1951-11-7) + 2-chlorobutyryl chloride (7623-11-2) + 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

im Dunkeln;

upstream raw materials:

butyryl chloride

carbon monoxide

cyclopropane

benzene

Downstream raw materials:

ethyl 2-chlorobutyrate

pent-2-en-1-ylbenzene

hept-3-ene

2-Chloro-N-[4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenyl]-butyramide

Refernces

• 1、 Johnson, Thomas J.,Baldwin, Thomas F.. "Interaction of Cyclopropane with Platinum-Metal Chlorides under Carbon Monoxide Pressure in Benzene". . p. 140 - 142. Retrieved 2007/10/02.